General Information of the Compound
Compound ID
CP0504748
Compound Name
2-methyl-5-propyl-4-[(2,4,5-trimethoxybenzoyl)amino]pyrazole-3-carboxamide
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Structure
Formula
C18H24N4O5
Molecular Weight
376.413
Canonical SMILES
CCCc1nn(C)c(C(N)=O)c1NC(=O)c1cc(OC)c(OC)cc1OC
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InChI
InChI=1S/C18H24N4O5/c1-6-7-11-15(16(17(19)23)22(2)21-11)20-18(24)10-8-13(26-4)14(27-5)9-12(10)25-3/h8-9H,6-7H2,1-5H3,(H2,19,23)(H,20,24)
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InChIKey
HMACICVHDUNKKI-UHFFFAOYSA-N
Physicochemical Property
logP
1.7496
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
117.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 118726889
ChEMBL ID
CHEMBL3397661
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
CL000172 MGC-803 Homo sapiens (Human)  1
1
IC50 = 12200 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000172 MGC-803 Homo sapiens (Human)  1
1
IC50 = 29510 nM
   TI
   LI
   LO
   TS