General Information of the Compound
Compound ID
CP0915895
Compound Name
(R)-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1-(2-methoxyethyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C27H29N3O4
Molecular Weight
459.546
Canonical SMILES
COCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21
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InChI
InChI=1S/C27H29N3O4/c1-19(31)18-28-25(32)20-13-14-23-24(17-20)30(15-16-34-2)26(29-23)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19,31,33H,15-16,18H2,1-2H3,(H,28,32)/t19-/m1/s1
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InChIKey
QSSQQCLECYLTEF-LJQANCHMSA-N
Physicochemical Property
logP
3.0775
Rotatable Bonds
9
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: 126726402
ChEMBL ID
CHEMBL4573037
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 = 250 nM
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