FR173657   Click here for help

GtoPdb Ligand ID: 674

Synonyms: FK-3657 | FR 173657 | FR-173657
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 2
Rotatable bonds 12
Topological polar surface area 113.52
Molecular weight 591.14
XLogP 4.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)Nc1ccc(cn1)C=CC(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C
Isomeric SMILES CC(=O)Nc1ccc(cn1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C
InChI InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+
InChI Key XCKWRUGRUFVXGC-NTEUORMPSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide
Synonyms Click here for help
FK-3657 | FR 173657 | FR-173657
Database Links Click here for help
BindingDB Ligand 50067301
ChEMBL Ligand CHEMBL130517
GtoPdb PubChem SID 135650286
PubChem CID 5311108
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