compound 46c [PMID: 29350534] [2270]
compound 46c [PMID: 29350534]
| SMILES |
C(=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)\CNC1CCOCC1 |
| InChIKey |
QPAGOTNPJABYCP-FITNPZAZSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
8 |
| Log P |
3.800 |
| Molecular weight (Da) |
446.3 |
| 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 46c [PMID: 29350534]
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.