RI01722276 | Remdesivir,4TMS,isomer#2 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Semi standard non polar | 4361.093 |
RI01722275 | Remdesivir,4TMS,isomer#1 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Semi standard non polar | 4369.636 |
RI01722274 | Remdesivir,3TMS,isomer#7 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4418.8438 |
RI01722273 | Remdesivir,3TMS,isomer#6 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4366.853 |
RI01722272 | Remdesivir,3TMS,isomer#5 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4379.218 |
RI01722271 | Remdesivir,3TMS,isomer#4 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4389.698 |
RI01722270 | Remdesivir,3TMS,isomer#3 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4402.8955 |
RI01722269 | Remdesivir,3TMS,isomer#2 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4288.354 |
RI01722268 | Remdesivir,3TMS,isomer#1 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Semi standard non polar | 4343.279 |
RI01722267 | Remdesivir,4TMS,isomer#4 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Standard non polar | 4021.081 |
RI01722266 | Remdesivir,4TMS,isomer#3 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 890.3835 | Standard non polar | 4057.8389 |
RI01722265 | Remdesivir,4TMS,isomer#2 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Standard non polar | 3855.6025 |
RI01722264 | Remdesivir,4TMS,isomer#1 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Standard non polar | 4015.8333 |
RI01722263 | Remdesivir,3TMS,isomer#7 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 4145.035 |
RI01722262 | Remdesivir,3TMS,isomer#6 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 3929.9744 |
RI01722261 | Remdesivir,3TMS,isomer#5 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 4076.8867 |
RI01722260 | Remdesivir,3TMS,isomer#4 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 3971.2034 |
RI01722259 | Remdesivir,3TMS,isomer#3 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 4110.8657 |
RI01722258 | Remdesivir,3TMS,isomer#2 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 3991.8918 |
RI01722257 | Remdesivir,3TMS,isomer#1 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard non polar | 3905.745 |
RI01722256 | Tucatinib,2TBDMS,isomer#1 | JsmolCC1=CC(N(C2=NC=NC3=CC=C(N(C4=NC(C)(C)CO4)[Si](C)(C)C(C)(C)C)C=C23)[Si](C)(C)C(C)(C)C)=CC=C1OC1=CC2=NC=NN2C=C1 | TBDMS | 708.3752 | Standard polar | 6050.9834 |
RI01722255 | Tucatinib,1TBDMS,isomer#2 | JsmolCC1=CC(NC2=NC=NC3=CC=C(N(C4=NC(C)(C)CO4)[Si](C)(C)C(C)(C)C)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1 | TBDMS | 594.2887 | Standard polar | 6616.7803 |
RI01722254 | Tucatinib,1TBDMS,isomer#1 | JsmolCC1=CC(N(C2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)[Si](C)(C)C(C)(C)C)=CC=C1OC1=CC2=NC=NN2C=C1 | TBDMS | 594.2887 | Standard polar | 6779.7617 |
RI01722253 | Tucatinib,2TMS,isomer#1 | JsmolCC1=CC(N(C2=NC=NC3=CC=C(N(C4=NC(C)(C)CO4)[Si](C)(C)C)C=C23)[Si](C)(C)C)=CC=C1OC1=CC2=NC=NN2C=C1 | TMS | 624.2813 | Standard polar | 6129.1826 |
RI01722252 | Tucatinib,1TMS,isomer#2 | JsmolCC1=CC(NC2=NC=NC3=CC=C(N(C4=NC(C)(C)CO4)[Si](C)(C)C)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1 | TMS | 552.2417 | Standard polar | 6698.253 |