L-367,773   Click here for help

GtoPdb Ligand ID: 2246

Synonyms: L 367773 | L-367773
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.54
Molecular weight 510.27
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Cc1cnc[nH]1)NC1CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C
Isomeric SMILES O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C
InChI InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1
InChI Key VQAVBHLGXVZOKM-RASJMTDNSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
N-[(1S,4R,6S)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]-2-(3H-imidazol-4-yl)acetamide
Synonyms Click here for help
L 367773 | L-367773
Database Links Click here for help
BindingDB Ligand 50043194
ChEMBL Ligand CHEMBL338522
GtoPdb PubChem SID 135650469
PubChem CID 10413997
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