CHEBI:94998 - SCH-79797

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ChEBI Name SCH-79797
ChEBI ID CHEBI:94998
Definition A member of the class of pyrroloquinazolines that is 7H-pyrrolo[3,2-f]quinazoline substituted by amino, cyclopropylamino, and 4-(propan-2-yl)benzyl groups at positions 1, 3 and 7, respectively. It is a PAR1 antagonist.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H25N5
Net Charge 0
Average Mass 371.488
Monoisotopic Mass 371.21100
InChI InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
InChIKey AVXQPEKZIGPIJW-UHFFFAOYSA-N
SMILES CC(C)C1=CC=C(CN2C=CC3=C2C=CC2=C3C(N)=NC(NC3CC3)=N2)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
protease-activated receptor-1 antagonist
An antagonist at the protease-activated receptor-1.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
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ChEBI Ontology
Outgoing SCH-79797 (CHEBI:94998) has role antibacterial agent (CHEBI:33282)
SCH-79797 (CHEBI:94998) has role apoptosis inducer (CHEBI:68495)
SCH-79797 (CHEBI:94998) has role cardioprotective agent (CHEBI:77307)
SCH-79797 (CHEBI:94998) has role protease-activated receptor-1 antagonist (CHEBI:83313)
SCH-79797 (CHEBI:94998) is a cyclopropanes (CHEBI:51454)
SCH-79797 (CHEBI:94998) is a pyrroloquinazoline (CHEBI:231697)
SCH-79797 (CHEBI:94998) is a secondary amino compound (CHEBI:50995)
SCH-79797 (CHEBI:94998) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
N3-cyclopropyl-7-[4-(propan-2-yl)benzyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Synonyms Sources
SCH 79797 ChEBI
SCH79797 ChEBI
Manual Xrefs Databases
LSM-6224 LINCS
SCH-79797 Wikipedia
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Registry Number Type Source
245520-69-8 CAS Registry Number ChEBI
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Last Modified
08 July 2024