General Information of the Compound
Compound ID
CP0391847
Compound Name
(E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-quinolin-6-yl}-3-p-tolyl-acrylamide
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Structure
Formula
C24H28N4O
Molecular Weight
388.515
Canonical SMILES
CN(C)CCN(C)c1ccc2cc(NC(=O)\C=C\c3ccc(C)cc3)ccc2n1
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InChI
InChI=1S/C24H28N4O/c1-18-5-7-19(8-6-18)9-14-24(29)25-21-11-12-22-20(17-21)10-13-23(26-22)28(4)16-15-27(2)3/h5-14,17H,15-16H2,1-4H3,(H,25,29)/b14-9+
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InChIKey
GEGLJDPEPGLWCZ-NTEUORMPSA-N
Physicochemical Property
logP
4.19292
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
48.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 11632484
SID: 16735651
ChEMBL ID
CHEMBL194477
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
2
IC50 = 804 nM
   TI
   LI
   LO
   TS