General Information of the Compound
Compound ID
CP0019103
Compound Name
4-(3,4-Dichlorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide
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Structure
Formula
C20H16Cl2N4O2
Molecular Weight
415.28
Canonical SMILES
CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1
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InChI
InChI=1S/C20H16Cl2N4O2/c1-10-19(20(28)25-13-3-5-17-12(6-13)9-23-26-17)14(8-18(27)24-10)11-2-4-15(21)16(22)7-11/h2-7,9,14H,8H2,1H3,(H,23,26)(H,24,27)(H,25,28)
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InChIKey
RHTXWIKPNGROHZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3859
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
86.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 11247002
SID: 16331686
ChEMBL ID
CHEMBL374453
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: PT01184, Rho-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8 nM
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