RY764   Click here for help

GtoPdb Ligand ID: 1337

Synonyms: RY 764 | RY-764
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 81.75
Molecular weight 582.39
XLogP 5.28
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C1CC2CCC1N(C2)C)NC(C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F
Isomeric SMILES O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F
InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1
InChI Key ARFBDECCXOFCBN-HOLBEBDISA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
(1R,4S,6R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-7-methyl-7-azabicyclo[2.2.2]octane-6-carboxamide
Synonyms Click here for help
RY 764 | RY-764
Database Links Click here for help
BindingDB Ligand 50169442
CAS Registry No. 917613-59-3 (source: Scifinder)
ChEMBL Ligand CHEMBL364346
GtoPdb PubChem SID 135650955
PubChem CID 6918851
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