General Information of the Compound
Compound ID
CP0864230
Compound Name
3-(3-methyl-1H-indol-1-yl)-N'-((4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)methylene)propanehydrazide
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Structure
Formula
C22H24N4O2
Molecular Weight
376.46
Canonical SMILES
Cc1cn(CCC(=O)N/N=C/c2ccc3c(c2)OCCN3C)c2ccccc12
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InChI
InChI=1S/C22H24N4O2/c1-16-15-26(19-6-4-3-5-18(16)19)10-9-22(27)24-23-14-17-7-8-20-21(13-17)28-12-11-25(20)2/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)/b23-14+
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InChIKey
NBLXZBFFKIFXNQ-OEAKJJBVSA-N
Physicochemical Property
logP
3.31872
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
58.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 49835092
SID: 103910049
ChEMBL ID
CHEMBL3968552
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 = 750 nM
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