General Information of the Compound
Compound ID
CP0560772
Compound Name
propan-2-yl N-[3-[4-(dimethylamino)phenyl]phenyl]carbamate
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Formula
C18H22N2O2
Molecular Weight
298.386
Canonical SMILES
CC(C)OC(=O)Nc1cccc(c1)-c1ccc(cc1)N(C)C
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InChI
InChI=1S/C18H22N2O2/c1-13(2)22-18(21)19-16-7-5-6-15(12-16)14-8-10-17(11-9-14)20(3)4/h5-13H,1-4H3,(H,19,21)
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InChIKey
ZOOQJQYGUOJYPA-UHFFFAOYSA-N
Physicochemical Property
logP
4.3765
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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
CHEMBL4748126
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 = 82000 nM
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