General Information of the Compound
Compound ID
CP0901362
Compound Name
(1-ethyl-6-(1-ethyl-1H-pyrazol-4-yl)-5-fluoro-1H-benzo[d]imidazol-2-yl)diphenylmethanol
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Structure
Formula
C27H25FN4O
Molecular Weight
440.522
Canonical SMILES
CCn1cc(-c2cc3c(cc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1
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InChI
InChI=1S/C27H25FN4O/c1-3-31-18-19(17-29-31)22-15-25-24(16-23(22)28)30-26(32(25)4-2)27(33,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,33H,3-4H2,1-2H3
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InChIKey
KSXOPBGLINKBMM-UHFFFAOYSA-N
Physicochemical Property
logP
5.3629
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
55.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 118515969
ChEMBL ID
CHEMBL4556583
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS