General Information of the Compound
Compound ID
CP0953929
Compound Name
1-ethyl-2-(9-hydroxy-9H-fluoren-9-yl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-carboxamide
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Structure
Formula
C26H25N3O3
Molecular Weight
427.504
Canonical SMILES
CCn1c(C2(O)c3ccccc3-c3ccccc32)nc2ccc(C(=O)NCC(C)O)cc21
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InChI
InChI=1S/C26H25N3O3/c1-3-29-23-14-17(24(31)27-15-16(2)30)12-13-22(23)28-25(29)26(32)20-10-6-4-8-18(20)19-9-5-7-11-21(19)26/h4-14,16,30,32H,3,15H2,1-2H3,(H,27,31)
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InChIKey
XHGPNWWSGLTRPE-UHFFFAOYSA-N
Physicochemical Property
logP
3.4314
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
87.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 126726459
ChEMBL ID
CHEMBL4524375
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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