General Information of the Compound
Compound ID
CP0225552
Compound Name
(5-methoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
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Structure
Formula
C17H15N3O
Molecular Weight
277.327
Canonical SMILES
COc1cccc-2c1Cc1c(Nc3ccccc3)[nH]nc-21
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InChI
InChI=1S/C17H15N3O/c1-21-15-9-5-8-12-13(15)10-14-16(12)19-20-17(14)18-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,18,19,20)
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InChIKey
UNYRTXMDRYRVPN-UHFFFAOYSA-N
Physicochemical Property
logP
3.7331
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
49.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 11536421
SID: 16638487
ChEMBL ID
CHEMBL371910
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
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 21700 nM
   TI
   LI
   LO
   TS
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS