General Information of the Compound
Compound ID
CP0503230
Compound Name
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)ptolyl)methanone
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Structure
Formula
C18H18N2O2
Molecular Weight
294.354
Canonical SMILES
CC1=NN(C(C1)c1ccccc1O)C(=O)c1ccc(C)cc1
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InChI
InChI=1S/C18H18N2O2/c1-12-7-9-14(10-8-12)18(22)20-16(11-13(2)19-20)15-5-3-4-6-17(15)21/h3-10,16,21H,11H2,1-2H3
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InChIKey
CONJYSVEBRCORZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.66372
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
52.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 54583763
ChEMBL ID
CHEMBL1770487
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: PT01466, Telomerase reverse transcriptase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000250 SGC-7901 Homo sapiens (Human)  1
1
IC50 = 31500 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 = 115530 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 78870 nM
   TI
   LI
   LO
   TS
CL000250 SGC-7901 Homo sapiens (Human)  1
1
IC50 = 51480 nM
   TI
   LI
   LO
   TS