Payload Information
General Information of This Payload
| Payload ID | PAY0TXXHQ |
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|---|---|---|---|---|---|---|
| Name | CN118924912A anti-HER2 ADC3 Payload |
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| Synonyms |
CN118924912A anti-HER2 ADC3 Payload
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| Structure |
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| Formula | C64H108N10O18 |
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| Isosmiles | C[C@H](NC([C@@H](NC(CC(N)CC(NCCOCCOCCOC)=O)=O)CCC(O)=O)=O)C(OCCOCCNC([C@@H](NC([C@@H]([C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@@H](N(C([C@@H](NC(/C(N(C)C)=C(C)\C)=O)C(C)C)=O)C)[C@@H](C)CC)=O)C)=O)CC2=CC=CC=C2)=O)=O |
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| InChI |
InChI=1S/C64H108N10O18/c1-15-42(6)57(73(11)63(84)55(40(2)3)71-62(83)56(41(4)5)72(9)10)50(87-13)39-53(77)74-27-19-22-49(74)58(88-14)43(7)59(80)70-48(36-45-20-17-16-18-21-45)60(81)67-26-29-90-34-35-92-64(85)44(8)68-61(82)47(23-24-54(78)79)69-52(76)38-46(65)37-51(75)66-25-28-89-32-33-91-31-30-86-12/h16-18,20-21,40,42-44,46-50,55,57-58H,15,19,22-39,65H2,1-14H3,(H,66,75)(H,67,81)(H,68,82)(H,69,76)(H,70,80)(H,71,83)(H,78,79)/t42-,43+,44-,46?,47-,48-,49-,50+,55-,57-,58+/m0/s1
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| InChIKey |
URFIORQHQPZNLK-QLHJBUNXSA-N
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| Pharmaceutical Properties | Molecule Weight |
1305.62 |
Polar area |
363.46 |
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Complexity |
2394.786644 |
xlogp Value |
1.0641 |
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Heavy Count |
92 |
Rot Bonds |
46 |
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Hbond acc |
19 |
Hbond Donor |
8 |
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Each Antibody-drug Conjugate Related to This Payload