General Information of the Compound
Compound ID
CP0389181
Compound Name
3,5-dichloro-4-cyclopropyl-1-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]pyrrole-2-carboxamide
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Structure
Formula
C20H24Cl2N2O2
Molecular Weight
395.33
Canonical SMILES
CC(C)COc1ccccc1CNC(=O)c1c(Cl)c(C2CC2)c(Cl)n1C
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InChI
InChI=1S/C20H24Cl2N2O2/c1-12(2)11-26-15-7-5-4-6-14(15)10-23-20(25)18-17(21)16(13-8-9-13)19(22)24(18)3/h4-7,12-13H,8-11H2,1-3H3,(H,23,25)
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InChIKey
IPZSSERKZYFAEE-UHFFFAOYSA-N
Physicochemical Property
logP
5.1741
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
43.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 145965878
ChEMBL ID
CHEMBL4209272
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 = 1150 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 = 240 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 = 6530 nM
   TI
   LI
   LO
   TS