General Information of the Compound
Compound ID
CP0534017
Compound Name
5-N-(3-chlorophenyl)-3-N-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
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Structure
Formula
C15H16ClN5O3
Molecular Weight
349.778
Canonical SMILES
CONC(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
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InChI
InChI=1S/C15H16ClN5O3/c1-24-20-14(22)13-11-8-21(6-5-12(11)18-19-13)15(23)17-10-4-2-3-9(16)7-10/h2-4,7H,5-6,8H2,1H3,(H,17,23)(H,18,19)(H,20,22)
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InChIKey
HUWGASIROSNQQK-UHFFFAOYSA-N
Physicochemical Property
logP
1.9445
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
99.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 166636054
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: PT00295, Capsid protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000617 Hep-G2/2.2.15 Homo sapiens (Human)  1
1
EC50 = 400 nM
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