BODIPY-pirenzepine [1446]
BODIPY-pirenzepine
| SMILES |
O=C(CCc1ccc(/C=C2\C=CC(c3cccs3)=N2)n1B(F)F)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 |
| InChIKey |
QGXCAYBSIKPOHP-ORIPQNMZSA-N |
Chemical Properties
| Hydrogen bond acceptors |
9 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
15 |
| Log P |
6.274 |
| Molecular weight (Da) |
764.3 |
| 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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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.