RI01722401 | Entrectinib,1TMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC3CCOCC3)=C2)CC1 | TMS | 632.3107 | Standard polar | 6038.9907 |
RI01722400 | Entrectinib,1TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(NC3CCOCC3)=C2)CC1 | TMS | 632.3107 | Standard polar | 5913.4473 |
RI01722399 | Entrectinib,2TBDMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C(C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C(C)(C)C)=C2)CC1 | TBDMS | 788.4441 | Semi standard non polar | 4957.984 |
RI01722398 | Entrectinib,2TBDMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(N(C3CCOCC3)[Si](C)(C)C(C)(C)C)=C2)CC1 | TBDMS | 788.4441 | Semi standard non polar | 4862.129 |
RI01722397 | Entrectinib,2TBDMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C(C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(NC3CCOCC3)=C2)CC1 | TBDMS | 788.4441 | Semi standard non polar | 4966.218 |
RI01722396 | Entrectinib,1TBDMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C(C)(C)C)=C2)CC1 | TBDMS | 674.3576 | Semi standard non polar | 4859.926 |
RI01722395 | Entrectinib,1TBDMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C(C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC3CCOCC3)=C2)CC1 | TBDMS | 674.3576 | Semi standard non polar | 4922.1387 |
RI01722394 | Entrectinib,1TBDMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(NC3CCOCC3)=C2)CC1 | TBDMS | 674.3576 | Semi standard non polar | 4805.255 |
RI01722393 | Entrectinib,3TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 776.3897 | Semi standard non polar | 4562.9453 |
RI01722392 | Entrectinib,2TMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 704.3502 | Semi standard non polar | 4651.7104 |
RI01722391 | Entrectinib,2TMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 704.3502 | Semi standard non polar | 4529.0444 |
RI01722390 | Entrectinib,2TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(NC3CCOCC3)=C2)CC1 | TMS | 704.3502 | Semi standard non polar | 4683.7705 |
RI01722389 | Entrectinib,1TMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 632.3107 | Semi standard non polar | 4665.153 |
RI01722388 | Entrectinib,1TMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC3CCOCC3)=C2)CC1 | TMS | 632.3107 | Semi standard non polar | 4800.2446 |
RI01722387 | Entrectinib,1TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(NC3CCOCC3)=C2)CC1 | TMS | 632.3107 | Semi standard non polar | 4622.015 |
RI01722386 | Entrectinib,2TBDMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C(C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C(C)(C)C)=C2)CC1 | TBDMS | 788.4441 | Standard non polar | 4391.728 |
RI01722385 | Entrectinib,2TBDMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(N(C3CCOCC3)[Si](C)(C)C(C)(C)C)=C2)CC1 | TBDMS | 788.4441 | Standard non polar | 4405.1943 |
RI01722384 | Entrectinib,2TBDMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C(C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(NC3CCOCC3)=C2)CC1 | TBDMS | 788.4441 | Standard non polar | 4399.768 |
RI01722383 | Entrectinib,1TBDMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C(C)(C)C)=C2)CC1 | TBDMS | 674.3576 | Standard non polar | 4347.852 |
RI01722382 | Entrectinib,1TBDMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C(C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC3CCOCC3)=C2)CC1 | TBDMS | 674.3576 | Standard non polar | 4343.824 |
RI01722381 | Entrectinib,1TBDMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C(C)(C)C)C(NC3CCOCC3)=C2)CC1 | TBDMS | 674.3576 | Standard non polar | 4330.4785 |
RI01722380 | Entrectinib,3TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 776.3897 | Standard non polar | 3975.7288 |
RI01722379 | Entrectinib,2TMS,isomer#3 | JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 704.3502 | Standard non polar | 4116.1704 |
RI01722378 | Entrectinib,2TMS,isomer#2 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1 | TMS | 704.3502 | Standard non polar | 4109.1377 |
RI01722377 | Entrectinib,2TMS,isomer#1 | JsmolCN1CCN(C2=CC=C(C(=O)N(C3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(NC3CCOCC3)=C2)CC1 | TMS | 704.3502 | Standard non polar | 4115.221 |