General Information of the Compound
Compound ID
CP0400156
Compound Name
2,3-dichloro-N-(1H-indazol-5-yl)benzamide
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Structure
Formula
C14H9Cl2N3O
Molecular Weight
306.152
Canonical SMILES
Clc1cccc(C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
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InChI
InChI=1S/C14H9Cl2N3O/c15-11-3-1-2-10(13(11)16)14(20)18-9-4-5-12-8(6-9)7-17-19-12/h1-7H,(H,17,19)(H,18,20)
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InChIKey
SQQKRJSVRXBKQB-UHFFFAOYSA-N
Physicochemical Property
logP
4.122
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 17167188
ChEMBL ID
CHEMBL3319241
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: 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)  1
1
Ki = 1145 nM
   TI
   LI
   LO
   TS