General Information of the Compound
Compound ID
CP0901353
Compound Name
(R)-1-ethyl-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-sulfonamide
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Structure
Formula
C25H27N3O4S
Molecular Weight
465.575
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(=O)(=O)NC[C@@H](C)O)cc21
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InChI
InChI=1S/C25H27N3O4S/c1-3-28-23-16-21(33(31,32)26-17-18(2)29)14-15-22(23)27-24(28)25(30,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,18,26,29-30H,3,17H2,1-2H3/t18-/m1/s1
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InChIKey
XPKYLXDBIANCLO-GOSISDBHSA-N
Physicochemical Property
logP
2.9995
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
104.45
Hydrogen Bond Donor Count
3
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: 126726348
ChEMBL ID
CHEMBL4513666
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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