General Information of the Compound
Compound ID
CP0915640
Compound Name
3-(3-Methyl-1H-indol-1-yl)-N'-(quinoxalin-6-ylmethylene)propanehydrazide
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Structure
Formula
C21H19N5O
Molecular Weight
357.417
Canonical SMILES
Cc1cn(CCC(=O)N/N=C/c2ccc3nccnc3c2)c2ccccc12
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InChI
InChI=1S/C21H19N5O/c1-15-14-26(20-5-3-2-4-17(15)20)11-8-21(27)25-24-13-16-6-7-18-19(12-16)23-10-9-22-18/h2-7,9-10,12-14H,8,11H2,1H3,(H,25,27)/b24-13+
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InChIKey
UUBWJWIDPSAZHE-ZMOGYAJESA-N
Physicochemical Property
logP
3.43332
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
72.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 49835272
SID: 103910236
ChEMBL ID
CHEMBL3898106
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 = 2200 nM
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