General Information of the Compound
Compound ID
CP0881032
Compound Name
N-[1-biphenyl-2-yl-methylidene]-N'-(3,5-dichloro-pyridin-4-yl)-hydrazine
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Structure
Formula
C18H13Cl2N3
Molecular Weight
342.229
Canonical SMILES
Clc1cncc(Cl)c1N/N=C/c1ccccc1-c1ccccc1
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InChI
InChI=1S/C18H13Cl2N3/c19-16-11-21-12-17(20)18(16)23-22-10-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-12H,(H,21,23)/b22-10+
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InChIKey
DEKCAXGKHUYNLQ-LSHDLFTRSA-N
Physicochemical Property
logP
5.5014
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 44408910
ChEMBL ID
CHEMBL383289
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 933 nM
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