General Information of the Compound
Compound ID
CP0094318
Compound Name
2-morpholin-4-yl-5,6-dihydro-4H-benzothiazol-7-one
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Structure
Formula
C13H18N2O2S
Molecular Weight
266.366
Canonical SMILES
CC1(C)Cc2nc(sc2C(=O)C1)N1CCOCC1
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InChI
InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3
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InChIKey
DZXMARZBAUMWLK-UHFFFAOYSA-N
Physicochemical Property
logP
2.1348
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 622262
SID: 17497489
ChEMBL ID
CHEMBL469099
DrugBank ID
DB07073
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 5473 nM
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