[3H]methyltrienolone   Click here for help

GtoPdb Ligand ID: 3457

Synonyms: [3H]-R1881 | [3H]R1881
PDB Ligand  Ligand is labelled  Ligand is radioactive
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
Synonyms Click here for help
[3H]-R1881 | [3H]R1881
Database Links Click here for help
ChEMBL Ligand CHEMBL166444
GtoPdb PubChem SID 178100455
PubChem CID 261000
RCSB PDB Ligand R18
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SynPHARM 8029 (in complex with Androgen receptor)