compound 2 [PMID: 21939274] [2190]
compound 2 [PMID: 21939274]
| SMILES |
Cc1cc(-c2cnc(N3CCC(c4nc(C(C)C)no4)CC3)c(C#N)c2)ccc1C#N |
| InChIKey |
TXALYVIWRLTFFP-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
7 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
4 |
| Log P |
4.691 |
| Molecular weight (Da) |
412.2 |
| Stereochemistry info |
unspecified |
Bioactivities
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| 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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compound 2 [PMID: 21939274]
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.