Payload Information
General Information of This Payload
| Payload ID | PAY0RCNLZ |
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|---|---|---|---|---|---|---|
| Name | Diiodinated heptamethine cyanine |
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| Synonyms |
Diiodinated heptamethine cyanine
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| Formula | C38H46I2N2O11S3 |
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| Isosmiles | CC1(CCCCCC(O)=O)C(/C=C/C=C/C=C/C=C2C(C)(C3=C(C=C(I)C=C3N/2CCCS(=O)(O)=O)I)C)=[N+](CCCS(=O)([O-])=O)C4=C1C=C(S(=O)(O)=O)C=C4 |
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| InChI |
InChI=1S/C38H46I2N2O11S3/c1-37(2)33(42(21-13-23-55(48,49)50)32-25-27(39)24-30(40)36(32)37)14-8-5-4-6-9-15-34-38(3,19-11-7-10-16-35(43)44)29-26-28(56(51,52)53)17-18-31(29)41(34)20-12-22-54(45,46)47/h4-6,8-9,14-15,17-18,24-26H,7,10-13,16,19-23H2,1-3H3,(H3-,43,44,45,46,47,48,49,50,51,52,53)
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| InChIKey |
SZJDSHJAPYKMGG-UHFFFAOYSA-N
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| Pharmaceutical Properties | Molecule Weight |
1056.798 |
Polar area |
209.49 |
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Complexity |
2254.974493 |
xlogp Value |
7.0974 |
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Heavy Count |
56 |
Rot Bonds |
19 |
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Hbond acc |
9 |
Hbond Donor |
3 |
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Each Antibody-drug Conjugate Related to This Payload