example 31 [WO2018183145] [3307]
example 31 [WO2018183145]
| SMILES |
COc1ncccc1C(=O)Nc1cnc(C(=O)N(C)C)cc1N1CCC(Oc2ccc(F)cc2F)CC1 |
| InChIKey |
BZWZIHDBTPHSPG-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
7 |
| Hydrogen bond donors |
1 |
| Rotatable bonds |
7 |
| Log P |
3.765 |
| Molecular weight (Da) |
511.2 |
| Stereochemistry info |
unspecified |
Bioactivities
|
| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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example 31 [WO2018183145]
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.