General Information of the Compound
Compound ID
CP0920270
Compound Name
4-(2,4-difluorobenzoyl)-N-(2-hydroxybenzyl)-1H-pyrrole-2-carboxamide
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Structure
Formula
C19H14F2N2O3
Molecular Weight
356.328
Canonical SMILES
O=C(NCc1ccccc1O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1
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InChI
InChI=1S/C19H14F2N2O3/c20-13-5-6-14(15(21)8-13)18(25)12-7-16(22-10-12)19(26)23-9-11-3-1-2-4-17(11)24/h1-8,10,22,24H,9H2,(H,23,26)
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InChIKey
XXJUNPNRDXNZLA-UHFFFAOYSA-N
Physicochemical Property
logP
3.1595
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
82.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 49798332
ChEMBL ID
CHEMBL1170798
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: PT00861, Mitogen-activated protein kinase 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000293 HLF Homo sapiens (Human)  1
1
IC50 = 1258.93 nM
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