General Information of the Compound
Compound ID
CP0285273
Compound Name
(E)-N-(4-amino-2-propylquinolin-6-yl)-3-(4-isopropylphenyl)acrylamide
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Structure
Formula
C24H27N3O
Molecular Weight
373.5
Canonical SMILES
CCCc1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(C)C)ccc2n1
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InChI
InChI=1S/C24H27N3O/c1-4-5-19-15-22(25)21-14-20(11-12-23(21)26-19)27-24(28)13-8-17-6-9-18(10-7-17)16(2)3/h6-16H,4-5H2,1-3H3,(H2,25,26)(H,27,28)/b13-8+
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InChIKey
XVZPYZCIHYPCMH-MDWZMJQESA-N
Physicochemical Property
logP
5.5448
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44417877
ChEMBL ID
CHEMBL215696
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 520 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.9 nM