Compound Identification
SMILES
COC(=O)C1=C(NC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)C1=CC2=C(N1)C=CC(=C2)C#CC1=CC2=C(NC(=C2)C(=O)N2C[C@@H](CCl)C3=C4C(NC(=C4C(=O)OC)C(F)(F)F)=C(O)C=C23)C=C1)C(F)(F)F
InChIKey
InChIKey=MAFDJPXTJDWUQS-DNQXCXABSA-N
Formula
C48H32Cl2F6N6O8
Mass
1005.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyrroloindoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloindoles
Alternative Parents
Indolecarboxamides and derivatives Hydroxyindoles Indoles Pyrrole carboxamides 2-heteroaryl carboxamides 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Methyl esters Tertiary amines Amino acids and derivatives Azacyclic compounds Organic oxides Organooxygen compounds Organochlorides Alkyl fluorides Alkyl chlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxamide derivative - Indolecarboxylic acid derivative - Pyrroloindole - Hydroxyindole - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Substituted pyrrole - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl chloride - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Amine - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available