General Information of the Compound
Compound ID
CP0293764
Compound Name
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide, 51
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Structure
Formula
C22H26N4O3
Molecular Weight
394.475
Canonical SMILES
COc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
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InChI
InChI=1S/C22H26N4O3/c1-29-18-8-6-16(7-9-18)21(27)23-12-15-25-13-10-17(11-14-25)26-20-5-3-2-4-19(20)24-22(26)28/h2-9,17H,10-15H2,1H3,(H,23,27)(H,24,28)
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InChIKey
XVQGXYKRBOLGFX-UHFFFAOYSA-N
Physicochemical Property
logP
2.4051
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
79.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 21428971
ChEMBL ID
CHEMBL1213098
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 = 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 15000 nM
Protein ID: PT01153, Phospholipase D2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 20000 nM