General Information of the Compound
Compound ID
CP0019162
Compound Name
N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]furan-3-carboxamide
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Structure
Formula
C23H22N2O3
Molecular Weight
374.44
Canonical SMILES
Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
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InChI
InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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InChIKey
HNOVOESCCUJDRT-UHFFFAOYSA-N
Physicochemical Property
logP
4.64712
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
71.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44593640
ChEMBL ID
CHEMBL477583
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: PT03101, Heat shock protein beta-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000293 HLF Homo sapiens (Human)  1
1
IC50 = 88 nM
   TI
   LI
   LO
   TS
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 = 16 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 96 nM
2 Ki = 6 nM
3 Ki = 15 nM