General Information of the Compound
Compound ID
CP0354280
Compound Name
(3R)-3-methyl-4-[5-propan-2-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
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Structure
Formula
C16H20N6OS
Molecular Weight
344.444
Canonical SMILES
CC(C)c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1
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InChI
InChI=1S/C16H20N6OS/c1-9(2)13-19-14(22-6-7-23-8-10(22)3)12-16(20-13)24-15(18-12)11-4-5-17-21-11/h4-5,9-10H,6-8H2,1-3H3,(H,17,21)/t10-/m1/s1
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InChIKey
BLXNMTGPAKSAQI-SNVBAGLBSA-N
Physicochemical Property
logP
2.8249
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
79.82
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
24

"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: 155534221
ChEMBL ID
CHEMBL4470066
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 = 3.7 nM
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