General Information of the Compound
Compound ID
CP0511826
Compound Name
N-(4-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide
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Structure
Formula
C19H16ClN5O2S3
Molecular Weight
478.024
Canonical SMILES
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)S(=O)(=O)Nc2ccc(Cl)cc2)n1
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InChI
InChI=1S/C19H16ClN5O2S3/c1-11-18(29-12(2)22-11)16-10-28-19(23-16)24-17-8-7-15(9-21-17)30(26,27)25-14-5-3-13(20)4-6-14/h3-10,25H,1-2H3,(H,21,23,24)
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InChIKey
YXVXHNZDDYYQNW-UHFFFAOYSA-N
Physicochemical Property
logP
5.47624
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
96.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 121476835
ChEMBL ID
CHEMBL3970031
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: PT03081, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 290 nM
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