General Information of the Compound
Compound ID
CP0225551
Compound Name
(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
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Synonyms
(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
872872-12-3
AKOS030605024
BDBM50179205
CHEMBL175596
CTK3C4931
DTXSID20468426
Indeno[1,2-c]pyrazol-3-amine, 1,4-dihydro-N-phenyl-
SCHEMBL4045943
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Structure
Formula
C16H13N3
Molecular Weight
247.301
Canonical SMILES
C1c2ccccc2-c2n[nH]c(Nc3ccccc3)c12
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InChI
InChI=1S/C16H13N3/c1-2-7-12(8-3-1)17-16-14-10-11-6-4-5-9-13(11)15(14)18-19-16/h1-9H,10H2,(H2,17,18,19)
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InChIKey
HXUODZKNCJWKGP-UHFFFAOYSA-N
Physicochemical Property
logP
3.7245
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
40.71
Hydrogen Bond Donor Count
2
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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PubChem ID
CID: 11550535
SID: 16652704
ChEMBL ID
CHEMBL175596
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: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 17600 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 24200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine )
Drug Name (2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
Target(s)
Platelet-derived growth factor receptor beta (PDGFRB)
Inhibitor