General Information of the Compound
Compound ID
CP0563809
Compound Name
2-methylpropyl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
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Formula
C19H24N2O2
Molecular Weight
312.413
Canonical SMILES
CC(C)COC(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C
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InChI
InChI=1S/C19H24N2O2/c1-14(2)13-23-19(22)20-17-7-5-6-16(12-17)15-8-10-18(11-9-15)21(3)4/h5-12,14H,13H2,1-4H3,(H,20,22)
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InChIKey
JIHCQGZGVPEJSW-UHFFFAOYSA-N
Physicochemical Property
logP
4.6241
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
41.57
Hydrogen Bond Donor Count
1
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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ChEMBL ID
CHEMBL4781242
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: PT04640, Patatin-like phospholipase domain-containing protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 22000 nM
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