General Information of the Compound
Compound ID
CP0910238
Compound Name
3-(1-ethyl-2-((4-fluorophenyl)(3-fluoropyridin-2-yl)(hydroxy)methyl)-1H-benzo[d]imidazol-6-yl)propan-1-ol
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Structure
Formula
C24H23F2N3O2
Molecular Weight
423.463
Canonical SMILES
CCn1c(C(O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(CCCO)cc21
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InChI
InChI=1S/C24H23F2N3O2/c1-2-29-21-15-16(5-4-14-30)7-12-20(21)28-23(29)24(31,17-8-10-18(25)11-9-17)22-19(26)6-3-13-27-22/h3,6-13,15,30-31H,2,4-5,14H2,1H3
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InChIKey
UZQLFZHDHWHEQP-UHFFFAOYSA-N
Physicochemical Property
logP
3.9385
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
71.17
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 126726358
ChEMBL ID
CHEMBL4520461
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
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 nM
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