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N-(2-Benzothiazolyl)phthalimide - Compound Summary (CID 99159)


BioActivity Results:
Tested in BioAssays: All: 1   Inactive: 1
BioActivity Summary: This Compound   with Similar Compounds

AID: 256 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice


Depositor-Supplied Synonyms: (Total: 9)
Sort:
N-(2-Benzothiazolyl)phthalimide
Phthalimide, 2-(2-benzothiazolyl)-
NSC190404
CID99159
BRN 1000343
WLN: T56 BVNVJ C- CT56 BN DSJ
LS-109438
1H-Isoindole-1,3(2H)-dione, 2-(2-benzothiazolyl)-
60945-03-1


Properties Computed from Structure:
Molecular Weight280.30122 [g/mol]
Molecular FormulaC15H8N2O2S
XLogP3-AA3.2
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass280.030648
MonoIsotopic Mass280.030648
Topological Polar Surface Area50.3
Heavy Atom Count20
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2-(1,3-benzothiazol-2-yl)isoindole-1,3-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC4=CC=CC=C4S3
InChI: InChI=1S/C15H8N2O2S/c18-13-9-5-1-2-6-10(9)14(19)17(13)15-16-11-7-3-4-8-
12(11)20-15/h1-8H
InChIKey: LSXOUPJSDGCGMO-UHFFFAOYSA-N


Compound Information:
CID 99159   
Create Date: 2005-03-26


Similar Compounds: 256 Links
Similar Conformers: 3210 Links    View Conformers


Substance Information:
Substances: 7 Links

Category: [for same structure substances]
Biological Properties: 4 Links
   DiscoveryGate ( 1 )
SID 10230332 - External ID: 99159
   DTP/NCI ( 1 )
SID 448250 - External ID: 190404
   LeadScope ( 1 )
SID 50010429 - External ID: LS-109438
   NextBio ( 1 )
SID 51818800 - External ID: 99159

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 44429390 - External ID: 89581

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 5776125 - External ID: 5183914

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 676498 - External ID: 060945031
     

2D

3D
Compound ID99159
Molecular Weight280.30122 [g/mol]
Molecular FormulaC15H8N2O2S
XLogP3-AA3.2
H-Bond Donor0
H-Bond Acceptor3


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