General Information of the Compound
Compound ID
CP0392646
Compound Name
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
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Structure
Formula
C17H23N5O3S
Molecular Weight
377.47
Canonical SMILES
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)C(N)=O
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InChI
InChI=1S/C17H23N5O3S/c1-10-8-22(9-11(2)25-10)17-19-12-7-13(15(18)23)26-14(12)16(20-17)21-3-5-24-6-4-21/h7,10-11H,3-6,8-9H2,1-2H3,(H2,18,23)/t10-,11+
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InChIKey
NLZTVQCFXSQRFU-PHIMTYICSA-N
Physicochemical Property
logP
1.2404
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
93.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
26

"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: 137647435
ChEMBL ID
CHEMBL4082222
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 865 nM
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