compound 12 [PMID: 12723943] [2017]
compound 12 [PMID: 12723943]
| SMILES |
CCCN1C(=O)C(NC(=O)Nc2ccc(N3CCN(c4cccnc4)CC3)cc2)N=C(C2CCCCC2)c2ccccc21 |
| InChIKey |
AIHOVEHIRAAXQV-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
7 |
| Log P |
5.682 |
| Molecular weight (Da) |
579.3 |
| Stereochemistry info |
unspecified |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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Type |
Min |
Avg |
Max |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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compound 12 [PMID: 12723943]
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.