General Information of the Compound
Compound ID
CP0906034
Compound Name
3-(3-methyl-1H-indol-1-yl)-N'-(quinolin-6-ylmethylene)propanehydrazide
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Structure
Formula
C22H20N4O
Molecular Weight
356.429
Canonical SMILES
Cc1cn(CCC(=O)N/N=C/c2ccc3ncccc3c2)c2ccccc12
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InChI
InChI=1S/C22H20N4O/c1-16-15-26(21-7-3-2-6-19(16)21)12-10-22(27)25-24-14-17-8-9-20-18(13-17)5-4-11-23-20/h2-9,11,13-15H,10,12H2,1H3,(H,25,27)/b24-14+
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InChIKey
UBHLOQQJSLDWJB-ZVHZXABRSA-N
Physicochemical Property
logP
4.03832
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
59.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 49835091
SID: 103910048
ChEMBL ID
CHEMBL3971296
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: PT06248, Transient receptor potential cation channel subfamily M member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 340 nM
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