Compound Identification
SMILES
CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1.COC1=C(OC)C(C2=CC=CC=N2)=C2C(N)=NC(=NC2=C1)N1CCC2=C(C1)C=CC=C2NS(C)(=O)=O
InChIKey
InChIKey=OBSPUAMEHIUECT-BTZVDUIBSA-N
Formula
C49H52FN7O8S
Mass
918.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Quinazolinamines Tetrahydroisoquinolines Sulfanilides N-alkylindoles Indoles Medium-chain hydroxy acids and derivatives Dialkylarylamines Medium-chain fatty acids Anisoles Beta hydroxy acids and derivatives Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Pyridines and derivatives Unsaturated fatty acids Organosulfonamides Aryl fluorides Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Primary amines Organofluorides Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
3-phenylpyrrole - Quinazolinamine - N-alkylindole - Quinazoline - Sulfanilide - Tetrahydroisoquinoline - Indole - Indole or derivatives - Medium-chain hydroxy acid - Anisole - Phenol ether - Medium-chain fatty acid - Dialkylarylamine - Aminopyrimidine - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Alkyl aryl ether - Unsaturated fatty acid - Hydroxy acid - Fatty acid - Organosulfonic acid amide - Organic sulfonic acid amide - Monocyclic benzene moiety - Fatty acyl - Imidolactam - Pyrimidine - Pyridine - Benzenoid - Aryl fluoride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Secondary alcohol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary amine - Amine - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available