General Information of the Compound
Compound ID
CP0471734
Compound Name
4-chloro-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-6-carboxamide
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Structure
Formula
C19H24ClN3O2
Molecular Weight
361.873
Canonical SMILES
CC(C)COc1ccccc1CNC(=O)c1c2CNCc2c(Cl)n1C
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InChI
InChI=1S/C19H24ClN3O2/c1-12(2)11-25-16-7-5-4-6-13(16)8-22-19(24)17-14-9-21-10-15(14)18(20)23(17)3/h4-7,12,21H,8-11H2,1-3H3,(H,22,24)
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InChIKey
LOONGKZYILAMNA-UHFFFAOYSA-N
Physicochemical Property
logP
3.2465
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
55.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 145976351
ChEMBL ID
CHEMBL4205329
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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3700 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 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS