RI01722176 | Ripretinib,2TMS,isomer#1 | JsmolCCN1C(=O)C(C2=CC(N(C(=O)NC3=CC=CC=C3)[Si](C)(C)C)=C(F)C=C2Br)=CC2=CN=C(N(C)[Si](C)(C)C)C=C21 | TMS | 653.1653 | Standard non polar | 3826.8562 |
RI01722175 | Ripretinib,1TMS,isomer#3 | JsmolCCN1C(=O)C(C2=CC(NC(=O)N(C3=CC=CC=C3)[Si](C)(C)C)=C(F)C=C2Br)=CC2=CN=C(NC)C=C21 | TMS | 581.1258 | Standard non polar | 3662.0854 |
RI01722174 | Ripretinib,1TMS,isomer#2 | JsmolCCN1C(=O)C(C2=CC(N(C(=O)NC3=CC=CC=C3)[Si](C)(C)C)=C(F)C=C2Br)=CC2=CN=C(NC)C=C21 | TMS | 581.1258 | Standard non polar | 3864.3513 |
RI01722173 | Ripretinib,1TMS,isomer#1 | JsmolCCN1C(=O)C(C2=CC(NC(=O)NC3=CC=CC=C3)=C(F)C=C2Br)=CC2=CN=C(N(C)[Si](C)(C)C)C=C21 | TMS | 581.1258 | Standard non polar | 3782.6821 |
RI01722172 | Pemigatinib,1TBDMS,isomer#1 | JsmolCCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=CN=C3C(=C21)C=C(CN1CCOCC1)N3[Si](C)(C)C(C)(C)C | TBDMS | 601.2896 | Standard polar | 4996.691 |
RI01722171 | Pemigatinib,1TMS,isomer#1 | JsmolCCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=CN=C3C(=C21)C=C(CN1CCOCC1)N3[Si](C)(C)C | TMS | 559.2426 | Standard polar | 5010.5503 |
RI01722170 | Pemigatinib,1TBDMS,isomer#1 | JsmolCCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=CN=C3C(=C21)C=C(CN1CCOCC1)N3[Si](C)(C)C(C)(C)C | TBDMS | 601.2896 | Semi standard non polar | 3855.69 |
RI01722169 | Pemigatinib,1TMS,isomer#1 | JsmolCCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=CN=C3C(=C21)C=C(CN1CCOCC1)N3[Si](C)(C)C | TMS | 559.2426 | Semi standard non polar | 3757.7183 |
RI01722168 | Pemigatinib,1TBDMS,isomer#1 | JsmolCCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=CN=C3C(=C21)C=C(CN1CCOCC1)N3[Si](C)(C)C(C)(C)C | TBDMS | 601.2896 | Standard non polar | 3726.037 |
RI01722167 | Pemigatinib,1TMS,isomer#1 | JsmolCCN1C(=O)N(C2=C(F)C(OC)=CC(OC)=C2F)CC2=CN=C3C(=C21)C=C(CN1CCOCC1)N3[Si](C)(C)C | TMS | 559.2426 | Standard non polar | 3526.3103 |
RI01722166 | Berotralstat,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)C1=CC(C(F)(F)F)=NN1C1=CC=CC(CN)=C1)C1=CC([C@@H](C2=CC=CC(C#N)=C2)N(CC2CC2)[Si](C)(C)C(C)(C)C)=CC=C1F | TBDMS | 790.3834 | Standard polar | 5304.63 |
RI01722165 | Berotralstat,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@@H](C3=CC=CC(C#N)=C3)N(CC3CC3)[Si](C)(C)C(C)(C)C)=CC=C2F)=C1 | TBDMS | 790.3834 | Standard polar | 5311.721 |
RI01722164 | Berotralstat,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)N(C2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 790.3834 | Standard polar | 5161.2104 |
RI01722163 | Berotralstat,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)N(CC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)=C1)[Si](C)(C)C(C)(C)C | TBDMS | 790.3834 | Standard polar | 5306.052 |
RI01722162 | Berotralstat,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)N(CC1CC1)[C@H](C1=CC=CC(C#N)=C1)C1=CC=C(F)C(NC(=O)C2=CC(C(F)(F)F)=NN2C2=CC=CC(CN)=C2)=C1 | TBDMS | 676.2969 | Standard polar | 5677.6367 |
RI01722161 | Berotralstat,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)N(C(=O)C1=CC(C(F)(F)F)=NN1C1=CC=CC(CN)=C1)C1=CC([C@H](NCC2CC2)C2=CC=CC(C#N)=C2)=CC=C1F | TBDMS | 676.2969 | Standard polar | 5510.0728 |
RI01722160 | Berotralstat,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)=C1 | TBDMS | 676.2969 | Standard polar | 5544.323 |
RI01722159 | Berotralstat,4TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)C1=CC(C(F)(F)F)=NN1C1=CC=CC(CN([Si](C)(C)C)[Si](C)(C)C)=C1)C1=CC([C@@H](C2=CC=CC(C#N)=C2)N(CC2CC2)[Si](C)(C)C)=CC=C1F | TMS | 850.3685 | Standard polar | 4688.2383 |
RI01722158 | Berotralstat,3TMS,isomer#3 | JsmolC[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)N(C2=CC([C@@H](C3=CC=CC(C#N)=C3)N(CC3CC3)[Si](C)(C)C)=CC=C2F)[Si](C)(C)C)=C1 | TMS | 778.329 | Standard polar | 4852.8506 |
RI01722157 | Berotralstat,3TMS,isomer#2 | JsmolC[Si](C)(C)N(CC1CC1)[C@H](C1=CC=CC(C#N)=C1)C1=CC=C(F)C(NC(=O)C2=CC(C(F)(F)F)=NN2C2=CC=CC(CN([Si](C)(C)C)[Si](C)(C)C)=C2)=C1 | TMS | 778.329 | Standard polar | 5040.432 |
RI01722156 | Berotralstat,3TMS,isomer#1 | JsmolC[Si](C)(C)N(C(=O)C1=CC(C(F)(F)F)=NN1C1=CC=CC(CN([Si](C)(C)C)[Si](C)(C)C)=C1)C1=CC([C@H](NCC2CC2)C2=CC=CC(C#N)=C2)=CC=C1F | TMS | 778.329 | Standard polar | 4900.0225 |
RI01722155 | Berotralstat,2TMS,isomer#4 | JsmolC[Si](C)(C)N(C(=O)C1=CC(C(F)(F)F)=NN1C1=CC=CC(CN)=C1)C1=CC([C@@H](C2=CC=CC(C#N)=C2)N(CC2CC2)[Si](C)(C)C)=CC=C1F | TMS | 706.2895 | Standard polar | 5275.0254 |
RI01722154 | Berotralstat,2TMS,isomer#3 | JsmolC[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@@H](C3=CC=CC(C#N)=C3)N(CC3CC3)[Si](C)(C)C)=CC=C2F)=C1 | TMS | 706.2895 | Standard polar | 5252.5796 |
RI01722153 | Berotralstat,2TMS,isomer#2 | JsmolC[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)N(C2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)[Si](C)(C)C)=C1 | TMS | 706.2895 | Standard polar | 5105.8467 |
RI01722152 | Berotralstat,2TMS,isomer#1 | JsmolC[Si](C)(C)N(CC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)=C1)[Si](C)(C)C | TMS | 706.2895 | Standard polar | 5299.273 |