General Information of the Compound
Compound ID
CP0894745
Compound Name
trans-N'-((8-Fluoroquinolin-6-yl)methylene)-2-phenylcyclopropanecarbohydrazide
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Structure
Formula
C20H16FN3O
Molecular Weight
333.366
Canonical SMILES
O=C(N/N=C/c1cc(F)c2ncccc2c1)[C@@H]1C[C@H]1c1ccccc1
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InChI
InChI=1S/C20H16FN3O/c21-18-10-13(9-15-7-4-8-22-19(15)18)12-23-24-20(25)17-11-16(17)14-5-2-1-3-6-14/h1-10,12,16-17H,11H2,(H,24,25)/b23-12+/t16-,17+/m0/s1
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InChIKey
VRECNRZYTMDWMU-CKGAZFRFSA-N
Physicochemical Property
logP
3.6277
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
54.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 134153288
ChEMBL ID
CHEMBL3969447
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 = 550 nM
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