compound 29a [PMID: 21444206] [2172]
compound 29a [PMID: 21444206]
| SMILES |
CC(C)(C)OC(=O)N1CCC(Oc2ncnc3c(-c4ccc(S(C)(=O)=O)cc4)noc23)CC1 |
| InChIKey |
JYRWUSXRTGACLY-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
9 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
4 |
| Log P |
3.467 |
| Molecular weight (Da) |
474.2 |
| 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 29a [PMID: 21444206]
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.