Payload Information
General Information of This Payload
| Payload ID | PAY0ITEUQ |
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|---|---|---|---|---|---|---|
| Name | Conjugate No.171 Payload |
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| Synonyms |
Conjugate No.171 Payload
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| Structure |
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| Formula | C69H88N14O22 |
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| Isosmiles | CN1C(C(N(C=C2)C3=C2C=C(OC)C=C3)=O)=CC(C4=CC=C(NC(C5=NC(NC(CCCOC6=C(OC)C=C(C7=O)C(N[C@@H](OCC(N=N8)=CN8CCOCCC(NC(C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)CCC(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)=O)[C@]9([H])CC(CN97)=C)=C6)=O)=CN5C)=O)C=C4)=C1 |
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| InChI |
InChI=1S/C69H88N14O22/c1-37-23-48-67(105-36-42-32-81(78-77-42)19-22-103-21-17-59(92)73-45(65(97)71-29-51(87)61(94)63(96)53(89)35-85)13-15-57(90)70-28-50(86)60(93)62(95)52(88)34-84)74-46-27-55(54(102-5)26-44(46)68(99)83(48)30-37)104-20-6-7-58(91)75-56-33-80(3)64(76-56)66(98)72-41-10-8-38(9-11-41)40-25-49(79(2)31-40)69(100)82-18-16-39-24-43(101-4)12-14-47(39)82/h8-12,14,16,18,24-27,31-33,45,48,50-53,60-63,67,74,84-89,93-96H,1,6-7,13,15,17,19-23,28-30,34-36H2,2-5H3,(H,70,90)(H,71,97)(H,72,98)(H,73,92)(H,75,91)/t45?,48-,50-,51-,52+,53+,60+,61+,62+,63+,67-/m0/s1
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| InChIKey |
DIUVSIRIFFBCTD-OVKMTBJMSA-N
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| Pharmaceutical Properties | Molecule Weight |
1465.539 |
Polar area |
501.75 |
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Complexity |
4120.048041 |
xlogp Value |
-1.7575 |
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Heavy Count |
105 |
Rot Bonds |
38 |
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Hbond acc |
30 |
Hbond Donor |
16 |
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Each Antibody-drug Conjugate Related to This Payload