General Information of the Compound
Compound ID
CP0962828
Compound Name
trans-N'-((1,5-Naphthyridin-2-yl)methylene)-2-(3-chlorophenyl)cyclopropanecarbohydrazide
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Structure
Formula
C19H15ClN4O
Molecular Weight
350.809
Canonical SMILES
O=C(N/N=C/c1ccc2ncccc2n1)[C@@H]1C[C@H]1c1cccc(Cl)c1
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InChI
InChI=1S/C19H15ClN4O/c20-13-4-1-3-12(9-13)15-10-16(15)19(25)24-22-11-14-6-7-17-18(23-14)5-2-8-21-17/h1-9,11,15-16H,10H2,(H,24,25)/b22-11+/t15-,16+/m0/s1
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InChIKey
VADWYVYZUPMKKJ-SXNPTRPASA-N
Physicochemical Property
logP
3.537
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
67.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 134132501
ChEMBL ID
CHEMBL3912469
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 = 50000 nM
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