General Information of the Compound
Compound ID
CP0376203
Compound Name
(3S,5S)-N-benzyl-6-oxo-5-propan-2-ylmorpholine-3-carboxamide
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Structure
Formula
C15H20N2O3
Molecular Weight
276.336
Canonical SMILES
CC(C)[C@@H]1N[C@@H](COC1=O)C(=O)NCc1ccccc1
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InChI
InChI=1S/C15H20N2O3/c1-10(2)13-15(19)20-9-12(17-13)14(18)16-8-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9H2,1-2H3,(H,16,18)/t12-,13-/m0/s1
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InChIKey
SAUGWTSYDYKCRT-STQMWFEESA-N
Physicochemical Property
logP
0.8424
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 44417174
ChEMBL ID
CHEMBL424892
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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 990 nM
   TI
   LI
   LO
   TS