General Information of the Compound
Compound ID
CP0634079
Compound Name
1-(4-chlorophenylamino)-N-(4-methyl-6H-thiazolo[5,4-e]indazol-2-yl)cyclopropanecarboxamide
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Structure
Formula
C19H16ClN5OS
Molecular Weight
397.891
Canonical SMILES
Cc1cc2[nH]ncc2c2sc(NC(=O)C3(Nc4ccc(Cl)cc4)CC3)nc12
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InChI
InChI=1S/C19H16ClN5OS/c1-10-8-14-13(9-21-25-14)16-15(10)22-18(27-16)23-17(26)19(6-7-19)24-12-4-2-11(20)3-5-12/h2-5,8-9,24H,6-7H2,1H3,(H,21,25)(H,22,23,26)
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InChIKey
YIAIWVFWUCOYKA-UHFFFAOYSA-N
Physicochemical Property
logP
4.71762
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
82.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 57951432
ChEMBL ID
CHEMBL3714916
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: PT02377, Beta-adrenergic receptor kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6.2 nM
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