Preladenant conjugate PSB-2113 [512363]
Preladenant conjugate PSB-2113
| SMILES |
CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 |
| InChIKey |
BIWDHFUPTSCUTC-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
18 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
22 |
| Log P |
2.042 |
| Molecular weight (Da) |
792.4 |
| Stereochemistry info |
unspecified |
No bioactivity data available.
Preladenant conjugate PSB-2113
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
Compound is not listed as a drug.