compound 2 [PMID: 31932225] [2198]
compound 2 [PMID: 31932225]
| SMILES |
CCOc1cc(Cl)c(C(=O)NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)cc1N1CCOCC1 |
| InChIKey |
NNVMPPRFBOTMMO-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
9 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
7 |
| Log P |
3.894 |
| Molecular weight (Da) |
572.2 |
| 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: 31932225]
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.