methyltrienolone   Click here for help

GtoPdb Ligand ID: 2857

Synonyms: R1881
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 284.18
XLogP 2.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4(C)O)C
Isomeric SMILES O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)O)C
InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
InChI Key CCCIJQPRIXGQOE-XWSJACJDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names Click here for help
INN number INN
2180 metribolone
Synonyms Click here for help
R1881
Database Links Click here for help
CAS Registry No. 965-93-5 (source: Scifinder)
ChEMBL Ligand CHEMBL166444
DrugBank Ligand DB02998
GtoPdb PubChem SID 135650595
PubChem CID 261000
RCSB PDB Ligand R18
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SynPHARM 14314 (in complex with Androgen receptor)
Wikipedia Methyltrienolone