General Information of the Compound
Compound ID
CP0125179
Compound Name
3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one
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Synonyms
147508-58-5
3-(4-Methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one
3-(4-methoxyphenyl)indeno[1,2-c]pyridazin-5-one
5H-indeno[1,2-c]pyridazin-5-one, 3-(4-methoxyphenyl)-
AC1L8E6Y
AC1Q6KMT
AKOS005075095
BDBM21618
CBDivE_007579
CHEMBL125044
CTK7A3357
GNF-PF-2812
HMS2631I03
Indeno[1,2-c]pyridazin-5-one, 6
KS-00001QSJ
MCULE-6151549558
MLS000691948
MMV666026
MolPort-002-851-046
NCI60_021917
NSC-663884
NSC663884
Oprea1_523550
SMR000333991
STK336082
ZINC196663
cid_379338
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Structure
Formula
C18H12N2O2
Molecular Weight
288.306
Canonical SMILES
COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
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InChI
InChI=1S/C18H12N2O2/c1-22-12-8-6-11(7-9-12)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3
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InChIKey
HXQRIHGYIOARQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3636
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
52.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 379338
SID: 15022496
ChEMBL ID
CHEMBL125044
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 517.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06033, Microphthalmia-associated transcription factor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000242 SK-MEL-5
 Cell Line Info 
Homo sapiens (Human)  1
1
AC50 = 14973 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GNF-PF-2812 )
Drug Name GNF-PF-2812
Target(s)
Angiotensin II receptor type-1 (AGTR1)
 Target Info 
Inhibitor