RU5135   Click here for help

GtoPdb Ligand ID: 2378

Synonyms: RU 5135 | RU-5135
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 75.68
Molecular weight 304.22
XLogP 1.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CC(=N2)N)C)C
Isomeric SMILES O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC(=N2)N)C)C
InChI InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)/t10-,11+,12+,13+,16-,17+,18+/m1/s1
InChI Key LLAKESJIQFAQJA-PLCDLCHKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
Synonyms Click here for help
RU 5135 | RU-5135
Database Links Click here for help
CAS Registry No. 78774-26-2 (source: Scifinder)
GtoPdb PubChem SID 135650951
PubChem CID 656742
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