RI01721951 | Vericiguat,1TMS,isomer#1 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C | TMS | 498.176 | Semi standard non polar | 3679.522 |
RI01721950 | Vericiguat,4TBDMS,isomer#2 | JsmolCOC(=O)NC1=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 882.4823 | Standard non polar | 4150.352 |
RI01721949 | Vericiguat,4TBDMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 882.4823 | Standard non polar | 4017.7537 |
RI01721948 | Vericiguat,3TBDMS,isomer#3 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 768.3959 | Standard non polar | 3749.6702 |
RI01721947 | Vericiguat,3TBDMS,isomer#2 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 768.3959 | Standard non polar | 3929.3816 |
RI01721946 | Vericiguat,3TBDMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 768.3959 | Standard non polar | 3779.3975 |
RI01721945 | Vericiguat,2TBDMS,isomer#3 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 654.3094 | Standard non polar | 3704.5408 |
RI01721944 | Vericiguat,2TBDMS,isomer#2 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 654.3094 | Standard non polar | 3489.9563 |
RI01721943 | Vericiguat,2TBDMS,isomer#1 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C(C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C | TBDMS | 654.3094 | Standard non polar | 3680.6829 |
RI01721942 | Vericiguat,1TBDMS,isomer#2 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N)[Si](C)(C)C(C)(C)C | TBDMS | 540.2229 | Standard non polar | 3300.1545 |
RI01721941 | Vericiguat,1TBDMS,isomer#1 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C(C)(C)C | TBDMS | 540.2229 | Standard non polar | 3423.3955 |
RI01721940 | Vericiguat,5TMS,isomer#1 | JsmolCOC(=O)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 786.3341 | Standard non polar | 3422.736 |
RI01721939 | Vericiguat,4TMS,isomer#2 | JsmolCOC(=O)NC1=C(N([Si](C)(C)C)[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C | TMS | 714.2945 | Standard non polar | 3493.801 |
RI01721938 | Vericiguat,4TMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 714.2945 | Standard non polar | 3272.5903 |
RI01721937 | Vericiguat,3TMS,isomer#3 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 642.255 | Standard non polar | 3186.7883 |
RI01721936 | Vericiguat,3TMS,isomer#2 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C | TMS | 642.255 | Standard non polar | 3390.054 |
RI01721935 | Vericiguat,3TMS,isomer#1 | JsmolCOC(=O)N(C1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C)[Si](C)(C)C | TMS | 642.255 | Standard non polar | 3166.7546 |
RI01721934 | Vericiguat,2TMS,isomer#3 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N([Si](C)(C)C)[Si](C)(C)C | TMS | 570.2155 | Standard non polar | 3332.8765 |
RI01721933 | Vericiguat,2TMS,isomer#2 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C)[Si](C)(C)C | TMS | 570.2155 | Standard non polar | 3083.398 |
RI01721932 | Vericiguat,2TMS,isomer#1 | JsmolCOC(=O)NC1=C(N[Si](C)(C)C)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C | TMS | 570.2155 | Standard non polar | 3273.2446 |
RI01721931 | Vericiguat,1TMS,isomer#2 | JsmolCOC(=O)N(C1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N)[Si](C)(C)C | TMS | 498.176 | Standard non polar | 3110.7659 |
RI01721930 | Vericiguat,1TMS,isomer#1 | JsmolCOC(=O)NC1=C(N)N=C(C2=NN(CC3=CC=CC=C3F)C3=NC=C(F)C=C23)N=C1N[Si](C)(C)C | TMS | 498.176 | Standard non polar | 3192.595 |
RI01721929 | Umbralisib,2TBDMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C23)C=C1F | TBDMS | 799.3561 | Standard polar | 5186.4883 |
RI01721928 | Umbralisib,1TBDMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C(C)(C)C)=C23)C=C1F | TBDMS | 685.2696 | Standard polar | 5613.523 |
RI01721927 | Umbralisib,2TMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N([Si](C)(C)C)[Si](C)(C)C)=C23)C=C1F | TMS | 715.2622 | Standard polar | 5163.267 |