General Information of the Compound
Compound ID
CP0180276
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
Formula
C35H28N4O5
Molecular Weight
584.632
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
Physicochemical Property
logP
6.4333
Rotatable Bonds
9
Heavy Atom Count
44
Polar Areas
104.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
44

"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).

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PubChem ID
CID: 45275167
SID: 92757570
ChEMBL ID
CHEMBL570369