compound 58 [PMID: 21273063] [2316]
compound 58 [PMID: 21273063]
| SMILES |
CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)nc1 |
| InChIKey |
XFJBGINZIMNZBW-CRAIPNDOSA-N |
Chemical Properties
| Hydrogen bond acceptors |
7 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
7 |
| Log P |
3.250 |
| Molecular weight (Da) |
436.1 |
| Stereochemistry info |
full |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
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Class |
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 58 [PMID: 21273063]
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.