General Information of the Compound
Compound ID
CP0376234
Compound Name
(3S,5S)-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
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Synonyms
CHEMBL215688
Cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
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Structure
Formula
C19H20N2O3
Molecular Weight
324.38
Canonical SMILES
O=C(NCc1ccccc1)[C@@H]1COC(=O)[C@H](Cc2ccccc2)N1
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InChI
InChI=1S/C19H20N2O3/c22-18(20-12-15-9-5-2-6-10-15)17-13-24-19(23)16(21-17)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17-/m0/s1
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InChIKey
ORMAGLLOPOBCBO-IRXDYDNUSA-N
Physicochemical Property
logP
1.4291
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44417210
ChEMBL ID
CHEMBL215688
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 = 1010 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide )
Drug Name Cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
Target(s)
Voltage-gated calcium channel alpha Cav3.2 (CACNA1H)
Inhibitor
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G)
Inhibitor