General Information of the Compound
Compound ID
CP0435795
Compound Name
N-(3,4-dichlorophenyl)-1-(1H-indazol-5-yl)methanimine
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Formula
C14H9Cl2N3
Molecular Weight
290.153
Canonical SMILES
Clc1ccc(cc1Cl)\N=C\c1ccc2[nH]ncc2c1
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InChI
InChI=1S/C14H9Cl2N3/c15-12-3-2-11(6-13(12)16)17-7-9-1-4-14-10(5-9)8-18-19-14/h1-8H,(H,18,19)/b17-7+
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InChIKey
ODHPFVFFVLSYBF-REZTVBANSA-N
Physicochemical Property
logP
4.6203
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
41.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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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ChEMBL ID
CHEMBL3319272
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: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  2
1
IC50 = 0.6166 nM
   TI
   LI
   LO
   TS
2
Ki = 0.27 nM
   TI
   LI
   LO
   TS