General Information of the Compound
Compound ID
CP0282368
Compound Name
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]piperidin-3-yl]methyl]-3,5-dichlorobenzamide
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Structure
Formula
C20H30Cl2N4O2
Molecular Weight
429.392
Canonical SMILES
CC(C)(C)NC(=O)NCCN1CCCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
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InChI
InChI=1S/C20H30Cl2N4O2/c1-20(2,3)25-19(28)23-6-8-26-7-4-5-14(13-26)12-24-18(27)15-9-16(21)11-17(22)10-15/h9-11,14H,4-8,12-13H2,1-3H3,(H,24,27)(H2,23,25,28)
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InChIKey
OVWZOKIZJAFDHH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5329
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
73.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 71517048
SID: 163508928
ChEMBL ID
CHEMBL2338407
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5300 nM
   TI
   LI
   LO
   TS
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS