compound 1a [PMID: 18573659] [2085]
compound 1a [PMID: 18573659]
| SMILES |
O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 |
| InChIKey |
SXVZDDYARZWATR-KRWDZBQOSA-N |
Chemical Properties
| Hydrogen bond acceptors |
4 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
6 |
| Log P |
4.891 |
| Molecular weight (Da) |
525.1 |
| Stereochemistry info |
full |
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 1a [PMID: 18573659]
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.