RI01722676 | Revefenacin,1TBDMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C(C)(C)C)CC2)C=C1 | TBDMS | 711.418 | Semi standard non polar | 5156.9014 |
RI01722675 | Revefenacin,3TMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)CC2)C=C1 | TMS | 813.4501 | Semi standard non polar | 4863.719 |
RI01722674 | Revefenacin,2TMS,isomer#2 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)CC2)C=C1 | TMS | 741.4106 | Semi standard non polar | 5017.493 |
RI01722673 | Revefenacin,2TMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C)CC2)C=C1 | TMS | 741.4106 | Semi standard non polar | 4789.061 |
RI01722672 | Revefenacin,1TMS,isomer#2 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(N)=O)CC2)C=C1 | TMS | 669.371 | Semi standard non polar | 4907.371 |
RI01722671 | Revefenacin,1TMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C)CC2)C=C1 | TMS | 669.371 | Semi standard non polar | 4994.898 |
RI01722670 | Revefenacin,2TBDMS,isomer#2 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CC2)C=C1 | TBDMS | 825.5045 | Standard non polar | 4579.9106 |
RI01722669 | Revefenacin,2TBDMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C(C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C(C)(C)C)CC2)C=C1 | TBDMS | 825.5045 | Standard non polar | 4367.434 |
RI01722668 | Revefenacin,1TBDMS,isomer#2 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C(C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(N)=O)CC2)C=C1 | TBDMS | 711.418 | Standard non polar | 3912.04 |
RI01722667 | Revefenacin,1TBDMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C(C)(C)C)CC2)C=C1 | TBDMS | 711.418 | Standard non polar | 4135.914 |
RI01722666 | Revefenacin,3TMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)CC2)C=C1 | TMS | 813.4501 | Standard non polar | 3989.613 |
RI01722665 | Revefenacin,2TMS,isomer#2 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)CC2)C=C1 | TMS | 741.4106 | Standard non polar | 4024.092 |
RI01722664 | Revefenacin,2TMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C)CC2)C=C1 | TMS | 741.4106 | Standard non polar | 3798.1387 |
RI01722663 | Revefenacin,1TMS,isomer#2 | JsmolCN(CCN1CCC(OC(=O)N(C2=CC=CC=C2C2=CC=CC=C2)[Si](C)(C)C)CC1)C(=O)C1=CC=C(CN2CCC(C(N)=O)CC2)C=C1 | TMS | 669.371 | Standard non polar | 3619.1333 |
RI01722662 | Revefenacin,1TMS,isomer#1 | JsmolCN(CCN1CCC(OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)CC1)C(=O)C1=CC=C(CN2CCC(C(=O)N[Si](C)(C)C)CC2)C=C1 | TMS | 669.371 | Standard non polar | 3864.8113 |
RI01722661 | Larotrectinib,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)N(C2=C3N=C(N4CCC[C@@H]4C4=CC(F)=CC=C4F)C=CN3N=C2)[Si](C)(C)C(C)(C)C)C1 | TBDMS | 656.3502 | Standard polar | 4670.8174 |
RI01722660 | Larotrectinib,2TMS,isomer#1 | JsmolC[Si](C)(C)O[C@H]1CCN(C(=O)N(C2=C3N=C(N4CCC[C@@H]4C4=CC(F)=CC=C4F)C=CN3N=C2)[Si](C)(C)C)C1 | TMS | 572.2563 | Standard polar | 4650.3184 |
RI01722659 | Larotrectinib,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)N(C2=C3N=C(N4CCC[C@@H]4C4=CC(F)=CC=C4F)C=CN3N=C2)[Si](C)(C)C(C)(C)C)C1 | TBDMS | 656.3502 | Semi standard non polar | 3934.406 |
RI01722658 | Larotrectinib,2TMS,isomer#1 | JsmolC[Si](C)(C)O[C@H]1CCN(C(=O)N(C2=C3N=C(N4CCC[C@@H]4C4=CC(F)=CC=C4F)C=CN3N=C2)[Si](C)(C)C)C1 | TMS | 572.2563 | Semi standard non polar | 3550.6711 |
RI01722657 | Larotrectinib,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)N(C2=C3N=C(N4CCC[C@@H]4C4=CC(F)=CC=C4F)C=CN3N=C2)[Si](C)(C)C(C)(C)C)C1 | TBDMS | 656.3502 | Standard non polar | 3934.7878 |
RI01722656 | Larotrectinib,2TMS,isomer#1 | JsmolC[Si](C)(C)O[C@H]1CCN(C(=O)N(C2=C3N=C(N4CCC[C@@H]4C4=CC(F)=CC=C4F)C=CN3N=C2)[Si](C)(C)C)C1 | TMS | 572.2563 | Standard non polar | 3480.4673 |
RI01722655 | Tezacaftor,4TMS,isomer#1 | JsmolCC(C)(CO[Si](C)(C)C)C1=CC2=CC(N(C(=O)C3(C4=CC=C5OC(F)(F)OC5=C4)CC3)[Si](C)(C)C)=C(F)C=C2N1C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 808.3402 | Standard polar | 3836.0068 |
RI01722654 | Tezacaftor,4TMS,isomer#1 | JsmolCC(C)(CO[Si](C)(C)C)C1=CC2=CC(N(C(=O)C3(C4=CC=C5OC(F)(F)OC5=C4)CC3)[Si](C)(C)C)=C(F)C=C2N1C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 808.3402 | Semi standard non polar | 3528.154 |
RI01722653 | Tezacaftor,4TMS,isomer#1 | JsmolCC(C)(CO[Si](C)(C)C)C1=CC2=CC(N(C(=O)C3(C4=CC=C5OC(F)(F)OC5=C4)CC3)[Si](C)(C)C)=C(F)C=C2N1C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 808.3402 | Standard non polar | 3496.9668 |
RI01722652 | Sarecycline,3TBDMS,isomer#10 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Standard polar | 4783.7773 |