General Information of the Compound
Compound ID
CP0573841
Compound Name
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-4-yl-1,3-thiazol-2-amine
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Structure
Formula
C13H12N4S2
Molecular Weight
288.401
Canonical SMILES
Cc1nc(C)c(s1)-c1csc(Nc2ccncc2)n1
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InChI
InChI=1S/C13H12N4S2/c1-8-12(19-9(2)15-8)11-7-18-13(17-11)16-10-3-5-14-6-4-10/h3-7H,1-2H3,(H,14,16,17)
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InChIKey
JANFCYIMNGCGKG-UHFFFAOYSA-N
Physicochemical Property
logP
4.02204
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 117848832
ChEMBL ID
CHEMBL3948261
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 = 3300 nM
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