General Information of the Compound
Compound ID
CP0282366
Compound Name
N-[[1-[2-(tert-butylcarbamoylamino)ethyl]pyrrolidin-3-yl]methyl]-3,5-dichlorobenzamide
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Structure
Formula
C19H28Cl2N4O2
Molecular Weight
415.365
Canonical SMILES
CC(C)(C)NC(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)C1
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InChI
InChI=1S/C19H28Cl2N4O2/c1-19(2,3)24-18(27)22-5-7-25-6-4-13(12-25)11-23-17(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,26)(H2,22,24,27)
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InChIKey
WGDQLOTYIWHCHS-UHFFFAOYSA-N
Physicochemical Property
logP
3.1428
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
73.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 71517192
SID: 163509092
ChEMBL ID
CHEMBL2338409
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 = 5800 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 = 400 nM
   TI
   LI
   LO
   TS