General Information of the Compound
Compound ID
CP0955206
Compound Name
(R)-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1-isopropyl-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C27H29N3O3
Molecular Weight
443.547
Canonical SMILES
CC(C)n1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21
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InChI
InChI=1S/C27H29N3O3/c1-18(2)30-24-16-20(25(32)28-17-19(3)31)14-15-23(24)29-26(30)27(33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,18-19,31,33H,17H2,1-3H3,(H,28,32)/t19-/m1/s1
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InChIKey
SSELLBLPDJCFKP-LJQANCHMSA-N
Physicochemical Property
logP
4.012
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
87.38
Hydrogen Bond Donor Count
3
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: 126726446
ChEMBL ID
CHEMBL4576312
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
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   LI
   LO
   TS