Bioactive Compound Details
| BioID | bio197476 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL451474 |
| Molecular Formula | C33H32N4O4 |
| Molecular Weight | 548.64 |
| Molecular Weight (Monoisotopic) | 548.2424 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 13(2)-Oxopyropheophorbide A |
| Smiles | C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4=O)[C@@H](CCC(=O)O)[C@@H]3C |
| Inchi | InChI=1S/C33H32N4O4/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37H,1,8-10H2,2-6H3,(H,38,39)/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-,30-29+/t16-,20-/m0/s1 |
| Inchi Key | VXQJOBPGFSBBSA-HUNLNFSZSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.27 |
| Records Key | ['8'] |
| Records Name | ['13(2)-Oxopyropheophorbide a'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
