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Summary Geometry Related PDB entries

X5I

Summary

Name:	(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Formula:	C21 H23 N5 O2
Formal charge:	0
Formula weight:	377.44 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
OpenEye OEToolkits	2.0.7	4-[[(2~{R})-azepan-2-yl]methyl]-6-imidazo[1,2-a]pyridin-3-yl-pyrido[3,2-b][1,4]oxazin-3-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1COc2ccc(nc2N1CC1CCCCCN1)c1cnc2ccccn21
InChI	InChI	1.06	InChI=1S/C21H23N5O2/c27-20-14-28-18-9-8-16(17-12-23-19-7-3-5-11-25(17)19)24-21(18)26(20)13-15-6-2-1-4-10-22-15/h3,5,7-9,11-12,15,22H,1-2,4,6,10,13-14H2/t15-/m1/s1
InChIKey	InChI	1.06	YYCHTNBYNGXUNO-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1COc2ccc(nc2N1C[C@H]3CCCCCN3)c4cnc5ccccn45
SMILES	CACTVS	3.385	O=C1COc2ccc(nc2N1C[CH]3CCCCCN3)c4cnc5ccccn45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)C[C@H]5CCCCCN5
SMILES	OpenEye OEToolkits	2.0.7	c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)CC5CCCCCN5

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