anthranilic acid - Compound Summary (CID 227)
RN given refers to parent cpd; structure in Negwer, 5th ed, #565
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 Drug and Chemical Information: (Total:1)
Anticonvulsants
- Drugs used to prevent SEIZURES or reduce their severity. |
Pharmacological ClassificationSafety and Toxicology
HSDB - Peer-reviewed summary of toxicity and biomedical effects | CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests | EINECS - European Inventory of Existing Commercial Chemical Substances | TOXLINE - Citations to the toxicological literature | NTP DBS - Toxicological assay results |
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 BioActivity Results:
Tested in BioAssays: All: 110 Active: 2 Inactive: 106
BioActivity Summary: This Compound with Similar Compounds
AID: 893 Source: NCGC
qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4
AID: 886 Source: NCGC
qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II)
AID: 1487 Source: NCGC
qHTS Assay for Modulators of Lamin A Splicing
AID: 1479 Source: NCGC
Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
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 Properties Computed from Structure:
| Molecular Weight | 137.13598 [g/mol] | | Molecular Formula | C7H7NO2 | | XLogP3 | 1.2 | | H-Bond Donor | 2 | | H-Bond Acceptor | 3 | | Rotatable Bond Count | 1 | | Tautomer Count | 2 | | Exact Mass | 137.047678 | | MonoIsotopic Mass | 137.047678 | | Topological Polar Surface Area | 63.3 | | Heavy Atom Count | 10 | | Formal Charge | 0 | | Complexity | 136 | | 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: 2-aminobenzoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)N
InChI: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey: RWZYAGGXGHYGMB-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 243 Links Same structure: 51 Links Mixture: 192 LinksCategory: [for same structure substances]
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| Compound ID | 227 |
| | Molecular Weight | 137.13598 [g/mol] |
| | Molecular Formula | C7H7NO2 |
| | XLogP3 | 1.2 |
| | H-Bond Donor | 2 |
| | H-Bond Acceptor | 3 |
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