Payload Information
General Information of This Payload
| Payload ID | PAY0HWRRJ |
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|---|---|---|---|---|---|---|
| Name | CN118924912A anti-HER2 ADC12 Payload |
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| Synonyms |
CN118924912A anti-HER2 ADC12 Payload
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| Structure |
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| Formula | C66H112N10O20 |
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| Isosmiles | C[C@H]([C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@@H](N(C([C@@H](NC([C@@H](N(C)C)C(C)C)=O)C(C)C)=O)C)[C@@H](C)CC)=O)C(N[C@@H](CC2=CC=CC=C2)C(NCCOCCOC([C@@H](NC([C@@H](NC(CC(N)CC(N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)=O)CCC(O)=O)=O)C3CC3)=O)=O)=O |
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| InChI |
InChI=1S/C66H112N10O20/c1-14-39(6)57(75(11)65(91)54(37(2)3)71-64(90)56(38(4)5)73(8)9)49(93-12)34-52(82)76-27-18-21-46(76)60(94-13)40(7)61(87)70-45(31-41-19-16-15-17-20-41)62(88)68-26-28-95-29-30-96-66(92)55(42-22-23-42)72-63(89)44(24-25-53(83)84)69-50(80)32-43(67)33-51(81)74(10)35-47(78)58(85)59(86)48(79)36-77/h15-17,19-20,37-40,42-49,54-60,77-79,85-86H,14,18,21-36,67H2,1-13H3,(H,68,88)(H,69,80)(H,70,87)(H,71,90)(H,72,89)(H,83,84)/t39-,40+,43?,44-,45-,46-,47-,48+,49+,54-,55-,56-,57-,58+,59+,60+/m0/s1
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| InChIKey |
BTDSUBIUDQQDDN-RXQIHPBGSA-N
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| Pharmaceutical Properties | Molecule Weight |
1365.672 |
Polar area |
428.13 |
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Complexity |
2516.862411 |
xlogp Value |
-1.7166 |
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Heavy Count |
96 |
Rot Bonds |
45 |
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Hbond acc |
21 |
Hbond Donor |
12 |
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Each Antibody-drug Conjugate Related to This Payload