phthalimide - PubChem Public Chemical Database

phthalimide - Compound Summary (CID 6809)

RN given refers to parent cpd

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Drug and Chemical Information

Safety and Toxicology

Substance Information

Category

Exports

Drug and Chemical Information: (Total:1)

phthalimide

Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

Literature

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BioActivity Results:

Tested in BioAssays: All: 9 Inactive: 9
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

AID: 248 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice

AID: 192 Source: DTP/NCI
NCI In Vivo Anticancer Drug Screen. Data for tumor model B16 Melanoma (intraperitoneal) in B6D2F1 (BDF1) mice

AID: 175 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the mlh1 rad18 strain

more ...

Properties Computed from Structure:

Molecular Weight	147.1308 [g/mol]
Molecular Formula	C₈H₅NO₂
XLogP3	1.1
H-Bond Donor	1
H-Bond Acceptor	2
Rotatable Bond Count	0
Tautomer Count	2
Exact Mass	147.032028
MonoIsotopic Mass	147.032028
Topological Polar Surface Area	46.2
Heavy Atom Count	11
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: isoindole-1,3-dione
Canonical SMILES: C1=CC=C2C(=C1)C(=O)NC2=O
InChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)

InChIKey: XKJCHHZQLQNZHY-UHFFFAOYSA-N

Compound Information:

CID 6809

Create Date: 2005-03-26

Related Compounds:

Same, Connectivity: 2 Links

Similar Compounds: 396 Links

Similar Conformers: 4644 Links View Conformers