General Information of the Compound
Compound ID
CP0844754
Compound Name
N-[1-(2',6'-dichloro-biphenyl-2-yl)-methylidene]-N'-(3,5-dichloro-pyridin-4-yl)-hydrazine
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Structure
Formula
C18H11Cl4N3
Molecular Weight
411.119
Canonical SMILES
Clc1cncc(Cl)c1N/N=C/c1ccccc1-c1c(Cl)cccc1Cl
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InChI
InChI=1S/C18H11Cl4N3/c19-13-6-3-7-14(20)17(13)12-5-2-1-4-11(12)8-24-25-18-15(21)9-23-10-16(18)22/h1-10H,(H,23,25)/b24-8+
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InChIKey
SHMJWPYNUXOKLF-KTZMUZOWSA-N
Physicochemical Property
logP
6.8082
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
37.28
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: 44408697
ChEMBL ID
CHEMBL204165
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 = 93 nM
   TI
   LI
   LO
   TS