General Information of the Compound
Compound ID
CP0501921
Compound Name
4-methyl-N-[N'-(4-propan-2-yloxyphenyl)carbamimidoyl]benzamide
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Structure
Formula
C18H21N3O2
Molecular Weight
311.385
Canonical SMILES
CC(C)Oc1ccc(cc1)N=C(N)NC(=O)c1ccc(C)cc1
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InChI
InChI=1S/C18H21N3O2/c1-12(2)23-16-10-8-15(9-11-16)20-18(19)21-17(22)14-6-4-13(3)5-7-14/h4-12H,1-3H3,(H3,19,20,21,22)
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InChIKey
ADQMCDSJZCPRNK-UHFFFAOYSA-N
Physicochemical Property
logP
3.15842
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
76.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 135568535
ChEMBL ID
CHEMBL106351
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: PT03022, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2020 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5750 nM
   TI
   LI
   LO
   TS