compound 1q [PMID: 18029181] [2111]
compound 1q [PMID: 18029181]
| SMILES |
O=C(O)c1ccccc1NC(=O)N1CCN(c2cnc3cc(O)ccc3n2)CC1 |
| InChIKey |
YBFBENHWPRGUMU-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
3 |
| Log P |
2.388 |
| Molecular weight (Da) |
393.1 |
| Stereochemistry info |
unspecified |
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 1q [PMID: 18029181]
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.