General Information of the Compound
Compound ID
CP0922190
Compound Name
4-fluoro-N-(2-(2-methyl-4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
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Structure
Formula
C22H25FN4O2
Molecular Weight
396.466
Canonical SMILES
CC1CC(n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1
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InChI
InChI=1S/C22H25FN4O2/c1-15-14-18(27-20-5-3-2-4-19(20)25-22(27)29)10-12-26(15)13-11-24-21(28)16-6-8-17(23)9-7-16/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)
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InChIKey
NMSOMEDMEITKLR-UHFFFAOYSA-N
Physicochemical Property
logP
2.9241
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
70.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 118722107
ChEMBL ID
CHEMBL3357313
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: PT01943, Phospholipase D1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000385 Calu-1 Homo sapiens (Human)  1
1
IC50 = 636 nM
   TI
   LI
   LO
   TS
CL000817 293/GFP Homo sapiens (Human)  1
1
IC50 = 7315 nM
   TI
   LI
   LO
   TS