Payload Information
General Information of This Payload
| Payload ID | PAY0KTPSF |
|||||
|---|---|---|---|---|---|---|
| Name | Heptamethine cyanine |
|||||
| Synonyms |
Heptamethine cyanine
Click to Show/Hide
|
|||||
| Formula | C37H46N2O11S3 |
|||||
| Isosmiles | CC1(CCCCCC(O)=O)C(/C=C/C=C/C=C/C=C2C(C)(C3=CC(S(=O)(O)=O)=CC=C3N/2CC)C)=[N+](CCCS(=O)([O-])=O)C4=C1C=C(S(=O)(O)=O)C=C4 |
|||||
| InChI |
InChI=1S/C37H46N2O11S3/c1-5-38-31-20-18-27(52(45,46)47)25-29(31)36(2,3)33(38)15-10-7-6-8-11-16-34-37(4,22-13-9-12-17-35(40)41)30-26-28(53(48,49)50)19-21-32(30)39(34)23-14-24-51(42,43)44/h6-8,10-11,15-16,18-21,25-26H,5,9,12-14,17,22-24H2,1-4H3,(H3-,40,41,42,43,44,45,46,47,48,49,50)
|
|||||
| InChIKey |
WIUAUXMTXRWESY-UHFFFAOYSA-N
|
|||||
| Pharmaceutical Properties | Molecule Weight |
790.979 |
Polar area |
209.49 |
||
Complexity |
2168.993841 |
xlogp Value |
5.8769 |
|||
Heavy Count |
53 |
Rot Bonds |
17 |
|||
Hbond acc |
9 |
Hbond Donor |
3 |
|||
Each Antibody-drug Conjugate Related to This Payload