Bioactive Compound Details
| BioID | bio198558 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1956502 |
| Molecular Formula | C40H45N5O9 |
| Molecular Weight | 739.83 |
| Molecular Weight (Monoisotopic) | 739.3217 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 15(2)-Monoaspartylchlorin E6 Di(Tert)Butyldimethyl Ester |
| Smiles | C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C |
| Inchi | InChI=1S/C40H45N5O9/c1-9-22-18(3)26-14-28-20(5)24(11-12-35(49)53-7)37(44-28)25(13-33(46)43-32(39(50)51)17-34(47)48)38-36(40(52)54-8)21(6)29(45-38)16-31-23(10-2)19(4)27(42-31)15-30(22)41-26/h9,14-16,20,24,32,41,45H,1,10-13,17H2,2-8H3,(H,43,46)(H,47,48)(H,50,51)/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,37-25-,38-25-/t20-,24-,32-/m0/s1 |
| Inchi Key | JTZMSVWTJVSQBY-SNVLMVIGSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 0.82 |
| Records Key | ['7a, 15(2)-AspChlorin e6DME'] |
| Records Name | ['15(2)-monoaspartylchlorin e6 di(tert)butyldimethyl ester'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
