General Information of the Compound
Compound ID
CP0575132
Compound Name
1-(2-amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
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Formula
C16H12N6O2
Molecular Weight
320.312
Canonical SMILES
Nc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
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InChI
InChI=1S/C16H12N6O2/c17-15-21-10-4-3-9(8-13(10)24-15)20-16(23)22-12-5-7-18-11-2-1-6-19-14(11)12/h1-8H,(H2,17,21)(H2,18,20,22,23)
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InChIKey
JPUWQMPKAYFUDA-UHFFFAOYSA-N
Physicochemical Property
logP
2.9972
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
118.96
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
24

"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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ChEMBL ID
CHEMBL4776564
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: PT02001, Orexin/Hypocretin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 41.69 nM
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