General Information of the Compound
Compound ID
CP0480691
Compound Name
N-(1H-benzimidazol-2-yl)cyclobutanecarboxamide
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Structure
Formula
C12H13N3O
Molecular Weight
215.256
Canonical SMILES
O=C(Nc1nc2ccccc2[nH]1)C1CCC1
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InChI
InChI=1S/C12H13N3O/c16-11(8-4-3-5-8)15-12-13-9-6-1-2-7-10(9)14-12/h1-2,6-8H,3-5H2,(H2,13,14,15,16)
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InChIKey
CVHFVTMORZHZPZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3015
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 2081314
ChEMBL ID
CHEMBL1578123
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
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 ~ 16360.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT06161, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 15000 nM
   TI
   LI
   LO
   TS