General Information of the Compound
Compound ID
CP0479557
Compound Name
N-(cyclopropylmethyl)-2-(6-hydroxy-4-oxo-2-phenylquinazolin-3-yl)acetamide
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Structure
Formula
C20H19N3O3
Molecular Weight
349.39
Canonical SMILES
Oc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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InChI
InChI=1S/C20H19N3O3/c24-15-8-9-17-16(10-15)20(26)23(12-18(25)21-11-13-6-7-13)19(22-17)14-4-2-1-3-5-14/h1-5,8-10,13,24H,6-7,11-12H2,(H,21,25)
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InChIKey
QNOVRWPYIKWGLG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2953
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
84.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 49866222
ChEMBL ID
CHEMBL1224610
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01840, Vasopressin V1b receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 100000 nM
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