General Information of the Compound
Compound ID
CP0575284
Compound Name
N-hydroxy-2-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
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Structure
Formula
C23H26N6O4
Molecular Weight
450.499
Canonical SMILES
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NO
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InChI
InChI=1S/C23H26N6O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)22(31)25-19-12-24-29(2)20(19)23(32)28-33/h7-12,16-17,33H,3-6H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)/t16-,17-/m1/s1
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InChIKey
DKULZVGJYQHINL-IAGOWNOFSA-N
Physicochemical Property
logP
2.86542
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
142
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 155537060
ChEMBL ID
CHEMBL4474748
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: PT01683, Arachidonate 5-lipoxygenase-activating protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 47 nM
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