compound 3a [Badolato et al., 2019] [2230]
compound 3a [Badolato et al., 2019]
| SMILES |
O=C1C(Cl)=C(N2CCOCC2)C(=O)c2c(O)ccc(O)c21 |
| InChIKey |
FTMCZTSKCXEXCO-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
1 |
| Log P |
1.259 |
| Molecular weight (Da) |
309.0 |
| Stereochemistry info |
unspecified |
Bioactivities
|
| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
|
|
|
|
|
|
|
|
|
|
|
| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
|
|
|
|
|
|
|
|
|
|
compound 3a [Badolato et al., 2019]
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.