dihydroergocryptine [2921]
dihydroergocryptine
| SMILES |
CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12 |
| InChIKey |
PBUNVLRHZGSROC-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
6 |
| Hydrogen bond donors |
3 |
| Rotatable bonds |
5 |
| Log P |
2.521 |
| Molecular weight (Da) |
577.3 |
| 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.