Payload Information
General Information of This Payload
| Payload ID | PAY0GHOQY |
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|---|---|---|---|---|---|---|
| Name | WO2022197877A1+compound 4+payload |
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| Synonyms |
WO2022197877A1+compound 4+payload
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| Structure |
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| Formula | C87H113N7O15Si2 |
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| Isosmiles | COC1=CC(C(N2[C@](CC(C2)=C)([H])CO[Si](C)(C)C(C)(C)C)=O)=C(NC(O)=O)C=C1OCCCCCOC3=C(OC)C=C(C(N4[C@@](CC(C4)=C)([H])CO[Si](C)(C)C(C)(C)C)=O)C(NC(OC(C(N5CCN(CC5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)=O)C9=CC=C(NC(OC%10CCCCC/C=C/%10)=O)C=C9)=O)=C3 |
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| InChI |
InChI=1S/C87H113N7O15Si2/c1-60-50-67(58-106-110(11,12)85(3,4)5)93(56-60)79(95)70-52-74(102-9)76(54-72(70)89-82(98)99)104-48-30-21-31-49-105-77-55-73(71(53-75(77)103-10)80(96)94-57-61(2)51-68(94)59-107-111(13,14)86(6,7)8)90-84(101)109-78(62-40-42-66(43-41-62)88-83(100)108-69-38-28-16-15-17-29-39-69)81(97)91-44-46-92(47-45-91)87(63-32-22-18-23-33-63,64-34-24-19-25-35-64)65-36-26-20-27-37-65/h18-20,22-28,32-38,40-43,52-55,67-69,78,89H,1-2,15-17,21,29-31,39,44-51,56-59H2,3-14H3,(H,88,100)(H,90,101)(H,98,99)/t67-,68+,69?,78?/m0/s1
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| InChIKey |
GFMJUBAJHIFUIF-MSNVKONOSA-N
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| Pharmaceutical Properties | Molecule Weight |
1553.067 |
Polar area |
245.54 |
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Complexity |
4176.412976 |
xlogp Value |
17.8703 |
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Heavy Count |
111 |
Rot Bonds |
29 |
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Hbond acc |
15 |
Hbond Donor |
4 |
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Each Antibody-drug Conjugate Related to This Payload