N-chloromethyl-brucine [5614]
N-chloromethyl-brucine
| SMILES |
COc1cc2c(cc1OC)[C@@]13CC[N+]4(CCl)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 |
| InChIKey |
GCEPQLWZBVGLQN-CQIPDZJVSA-N |
Chemical Properties
| Hydrogen bond acceptors |
4 |
| Hydrogen bond donors |
0 |
| Rotatable bonds |
3 |
| Log P |
2.821 |
| Molecular weight (Da) |
443.2 |
| Stereochemistry info |
partial |
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.