Basic information
- CAS
31738-10-0- Standard SMILES
CC1=CC2C(C(O)CC3(C)C2CC(C)C3(O)C(=O)CO)C2(C)Cc3cnn(-c4ccc(F)cc4)c3C=C12- InChIKey
HMIRYTLYTWFOPG-UHFFFAOYSA-N- Molecular formula
- C30H35FN2O4
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.25808576
Names & identifiers
- Preferred name
- Agn-PC-0jkopo
- IUPAC
- 1-[7-(4-fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-hydroxyethanone
Names & synonyms
AGN-PC-0JKOPO31738-10-0DTXSID802753751-[7-(4-Fluorophenyl)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethan-1-one
Database identifiers
- CAS
31738-10-0- PubChem CID
- 35865
- DTXSID
DTXSID80275375
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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