CHEBI:107332 - 2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole

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ChEBI Name 2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole
ChEBI ID CHEBI:107332
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H28N8S
Net Charge 0
Average Mass 496.632
Monoisotopic Mass 496.21576
InChI InChI=1S/C27H28N8S/c1-2-8-21(7-1)35-26(30-31-32-35)25(20-11-12-22-19(18-20)6-5-13-28-22)33-14-16-34(17-15-33)27-29-23-9-3-4-10-24(23)36-27/h3-6,9-13,18,21,25H,1-2,7-8,14-17H2
InChIKey HHHPYTHYAAQJDO-UHFFFAOYSA-N
SMILES C1CCC(C1)N2C(=NN=N2)C(C3=CC4=C(C=C3)N=CC=C4)N5CCN(CC5)C6=NC7=CC=CC=C7S6
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-[4-[(1-cyclopentyl-5-tetrazolyl)-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole (CHEBI:107332) is a N-arylpiperazine (CHEBI:46848)
Manual Xref Database
LSM-18686 LINCS
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