General Information of the Compound
Compound ID
CP0652464
Compound Name
(E)-1-methyl-2-styryl-1H-benzo[d]imidazole
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Structure
Formula
C16H14N2
Molecular Weight
234.302
Canonical SMILES
Cn1c(/C=C/c2ccccc2)nc2ccccc21
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InChI
InChI=1S/C16H14N2/c1-18-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
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InChIKey
QDZVXONVFRIVPN-VAWYXSNFSA-N
Physicochemical Property
logP
3.7437
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 5708370
SID: 16842538
ChEMBL ID
CHEMBL225951
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
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Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 9762 nM
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