General Information of the Compound
Compound ID
CP0540375
Compound Name
3-[2-cyclopropyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
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Structure
Formula
C24H22N4O2S
Molecular Weight
430.533
Canonical SMILES
Cc1[nH]nc(c1-c1ccc(-c2cccc(c2)S(N)(=O)=O)c(c1)C1CC1)-c1ccncc1
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InChI
InChI=1S/C24H22N4O2S/c1-15-23(24(28-27-15)17-9-11-26-12-10-17)19-7-8-21(22(14-19)16-5-6-16)18-3-2-4-20(13-18)31(25,29)30/h2-4,7-14,16H,5-6H2,1H3,(H,27,28)(H2,25,29,30)
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InChIKey
SRXZEAZXVNKPBH-UHFFFAOYSA-N
Physicochemical Property
logP
4.63892
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
101.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 166490601
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: PT06768, Leucine-rich repeat serine/threonine-protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 390 nM
   TI
   LI
   LO
   TS
2
EC50 > 100000 nM
   TI
   LI
   LO
   TS