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Summary Geometry Related PDB entries

A1ETB

Summary

Name:	4,7-diazaspiro[2.5]octan-7-yl-[6-fluoranyl-2-[1-(4-methylquinazolin-2-yl)azetidin-3-yl]imidazo[1,2-a]pyridin-3-yl]methanone
Formula:	C26 H26 F N7 O
Formal charge:	0
Formula weight:	471.529 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4,7-diazaspiro[2.5]octan-7-yl-[6-fluoranyl-2-[1-(4-methylquinazolin-2-yl)azetidin-3-yl]imidazo[1,2-a]pyridin-3-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H26FN7O/c1-16-19-4-2-3-5-20(19)30-25(29-16)33-12-17(13-33)22-23(34-14-18(27)6-7-21(34)31-22)24(35)32-11-10-28-26(15-32)8-9-26/h2-7,14,17,28H,8-13,15H2,1H3
InChIKey	InChI	1.06	HVMCCFZKHPZGHQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc(nc2ccccc12)N3CC(C3)c4nc5ccc(F)cn5c4C(=O)N6CCNC7(CC7)C6
SMILES	CACTVS	3.385	Cc1nc(nc2ccccc12)N3CC(C3)c4nc5ccc(F)cn5c4C(=O)N6CCNC7(CC7)C6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c2ccccc2nc(n1)N3CC(C3)c4c(n5cc(ccc5n4)F)C(=O)N6CCNC7(C6)CC7
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2ccccc2nc(n1)N3CC(C3)c4c(n5cc(ccc5n4)F)C(=O)N6CCNC7(C6)CC7

250835

PDB entries from 2026-03-18

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