DOXYCYCLINE ANHYDROUS [77307]
DOXYCYCLINE ANHYDROUS
| SMILES |
C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21 |
| InChIKey |
JBIWCJUYHHGXTC-AKNGSSGZSA-N |
Chemical Properties
| Hydrogen bond acceptors |
9 |
| Hydrogen bond donors |
6 |
| Rotatable bonds |
2 |
| Log P |
-0.348 |
| Molecular weight (Da) |
444.2 |
| Stereochemistry info |
partial |
Bioactivities
|
| 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 |
Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.