Compound Identification
SMILES
COC1=CC=C(NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=ZSRQXAOMWGIWMD-UHFFFAOYSA-N
Formula
C21H18ClF3N4O2
Mass
450.85
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Anilides Pyrimidinecarboxamides Pyrazolopyrimidines Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides Hydropyrimidines Imidolactams Pyrazoles Pyrazolines Secondary carboxylic acid amides Amidrazones Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Methoxyaniline - Anilide - Pyrazolopyrimidine - Pyrimidinecarboxamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Imidolactam - Pyrimidine - Benzenoid - Pyrazole - Pyrazoline - Carboxamide group - Carboxylic acid amidrazone - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available