General Information of the Compound
Compound ID
CP0235671
Compound Name
(2S)-1-N-[5-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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Structure
Formula
C15H20N6O2S2
Molecular Weight
380.499
Canonical SMILES
CN(C)c1nc(cs1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C
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InChI
InChI=1S/C15H20N6O2S2/c1-8-11(9-7-24-15(18-9)20(2)3)25-13(17-8)19-14(23)21-6-4-5-10(21)12(16)22/h7,10H,4-6H2,1-3H3,(H2,16,22)(H,17,19,23)/t10-/m0/s1
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InChIKey
VLRJRFKUJYNZQW-JTQLQIEISA-N
Physicochemical Property
logP
2.12262
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
104.45
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 44129198
SID: 84981237
ChEMBL ID
CHEMBL3609541
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: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS