General Information of the Compound
Compound ID
CP0904611
Compound Name
(R)-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1-(oxetan-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C27H27N3O4
Molecular Weight
457.53
Canonical SMILES
C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C3COC3)c2c1
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InChI
InChI=1S/C27H27N3O4/c1-18(31)15-28-25(32)19-12-13-23-24(14-19)30(22-16-34-17-22)26(29-23)27(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-14,18,22,31,33H,15-17H2,1H3,(H,28,32)/t18-/m1/s1
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InChIKey
WSZNADZVOCEZLB-GOSISDBHSA-N
Physicochemical Property
logP
3.0024
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
96.61
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 126726419
ChEMBL ID
CHEMBL4540691
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 > 1000 nM
   TI
   LI
   LO
   TS