PSB36 [512123]
PSB36
| SMILES | CCCCn1c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc2n(/C=C/CO)c1=O |
| InChIKey | BPTHCTUXQADTJT-ZKQWZTGNSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Log P | 2.227 |
| Molecular weight (Da) | 384.2 |
| Stereochemistry info | full |
Database connections
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| Structure pdb | 5N2R |
No bioactivity data available.
PSB36
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
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| Structure pdb | 5N2R |