General Information of the Compound
Compound ID |
CP0180276
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Compound Name |
5-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
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Structure |
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Formula |
C35H28N4O5
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Molecular Weight |
584.632
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Canonical SMILES |
COc1cc2nccc(Oc3ccc(NC(=O)c4cc(Cc5ccccc5)cn(-c5ccccc5)c4=O)nc3)c2cc1OC
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InChI |
InChI=1S/C35H28N4O5/c1-42-31-19-27-29(20-32(31)43-2)36-16-15-30(27)44-26-13-14-33(37-21-26)38-34(40)28-18-24(17-23-9-5-3-6-10-23)22-39(35(28)41)25-11-7-4-8-12-25/h3-16,18-22H,17H2,1-2H3,(H,37,38,40)
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InChIKey |
SEJFSSIRSRIMHC-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |