General Information of the Compound
Compound ID
CP0901351
Compound Name
1-ethyl-2-(hydroxy(1-methyl-1H-indazol-6-yl)(phenyl)methyl)-N-methyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C26H25N5O2
Molecular Weight
439.519
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccc3cnn(C)c3c2)nc2ccc(C(=O)NC)cc21
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InChI
InChI=1S/C26H25N5O2/c1-4-31-23-14-17(24(32)27-2)11-13-21(23)29-25(31)26(33,19-8-6-5-7-9-19)20-12-10-18-16-28-30(3)22(18)15-20/h5-16,33H,4H2,1-3H3,(H,27,32)
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InChIKey
RMDLYQSPQRUGGQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5867
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
84.97
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 126726340
ChEMBL ID
CHEMBL4593611
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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