General Information of the Compound
Compound ID
CP0198510
Compound Name
(3R)-3-methyl-4-[2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
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Structure
Formula
C13H14N6OS
Molecular Weight
302.363
Canonical SMILES
C[C@@H]1COCCN1c1ncnc2sc(nc12)-c1cc[nH]n1
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InChI
InChI=1S/C13H14N6OS/c1-8-6-20-5-4-19(8)11-10-13(15-7-14-11)21-12(17-10)9-2-3-16-18-9/h2-3,7-8H,4-6H2,1H3,(H,16,18)/t8-/m1/s1
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InChIKey
ODBIQRURBNVYGH-MRVPVSSYSA-N
Physicochemical Property
logP
1.7015
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
79.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 155549473
ChEMBL ID
CHEMBL4538499
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: PT02733, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
IC50 = 603 nM
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