General Information of the Compound
Compound ID
CP0960673
Compound Name
3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-N-ethyl-2-hydroxybenzamide
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Formula
C19H17N3O4
Molecular Weight
351.362
Canonical SMILES
CCNC(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O
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InChI
InChI=1S/C19H17N3O4/c1-2-20-19(26)12-9-6-10-13(16(12)23)22-15-14(17(24)18(15)25)21-11-7-4-3-5-8-11/h3-10,23-25H,2H2,1H3,(H,20,26)/b21-14-,22-15-
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InChIKey
HXRRYRNLTMPAEB-HHQODBOJSA-N
Physicochemical Property
logP
1.8935
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
114.51
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
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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ChEMBL ID
CHEMBL213943
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: PT01013, C-X-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 65 nM
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