CP-481,715   Click here for help

GtoPdb Ligand ID: 3497

Synonyms: CP 481715 | CP-481715 | CP481715
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 138.43
Molecular weight 482.23
XLogP 1.77
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(C(NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)CC(C(=O)N)CCC(O)(C)C
Isomeric SMILES O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C
InChI InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1
InChI Key YEQJVHQCUDMXFG-FHZYATBESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide
Synonyms Click here for help
CP 481715 | CP-481715 | CP481715
Database Links Click here for help
CAS Registry No. 212790-31-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1628706
GtoPdb PubChem SID 178100485
PubChem CID 5311123
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