General Information of the Compound
Compound ID
CP0911213
Compound Name
N-(3,5-dichloro-pyridin-4-yl)-N'-[1-(2'-methyl-biphenyl-2-yl)-methylidene]-hydrazine
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Structure
Formula
C19H15Cl2N3
Molecular Weight
356.256
Canonical SMILES
Cc1ccccc1-c1ccccc1/C=N/Nc1c(Cl)cncc1Cl
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InChI
InChI=1S/C19H15Cl2N3/c1-13-6-2-4-8-15(13)16-9-5-3-7-14(16)10-23-24-19-17(20)11-22-12-18(19)21/h2-12H,1H3,(H,22,24)/b23-10+
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InChIKey
RIMRBFFCTVLKNY-AUEPDCJTSA-N
Physicochemical Property
logP
5.80982
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
37.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 44408911
ChEMBL ID
CHEMBL381179
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 = 316 nM
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