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Summary Geometry Related PDB entries

LKF

Summary

Name:	4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine
Formula:	C18 H24 N6 O2
Formal charge:	0
Formula weight:	356.422 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-{1-[(2S)-2-methoxypropyl]-1H-pyrazol-4-yl}-2-methyl-8-(morpholin-4-yl)imidazo[1,2-a]pyrazine
OpenEye OEToolkits	1.9.2	4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2ccn4c(c1cn(nc1)CC(OC)C)c(nc4c2N3CCOCC3)C
InChI	InChI	1.03	InChI=1S/C18H24N6O2/c1-13(25-3)11-23-12-15(10-20-23)16-14(2)21-18-17(19-4-5-24(16)18)22-6-8-26-9-7-22/h4-5,10,12-13H,6-9,11H2,1-3H3/t13-/m0/s1
InChIKey	InChI	1.03	DPAWKOUFAHFNNS-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CO[C@@H](C)Cn1cc(cn1)c2n3ccnc(N4CCOCC4)c3nc2C
SMILES	CACTVS	3.385	CO[CH](C)Cn1cc(cn1)c2n3ccnc(N4CCOCC4)c3nc2C
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC
SMILES	OpenEye OEToolkits	1.9.2	Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)CC(C)OC

223790

건을2024-08-14부터공개중

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