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Summary Geometry Related PDB entries

VEU

Summary

Name:	~{N}-(1-cyclopropyl-2-oxidanylidene-pyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide
Formula:	C24 H27 N5 O4
Formal charge:	0
Formula weight:	449.502 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-N-(1-cyclopropyl-2-oxo-1,2-dihydropyridin-3-yl)-2-[(1S,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(1-cyclopropyl-2-oxidanylidene-pyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(C=CC=C1NC(=O)c1cn2cc(nc2nc1OC(C)C)C12CC(C)(C1)OC2)C1CC1
InChI	InChI	1.06	InChI=1S/C24H27N5O4/c1-14(2)33-20-16(19(30)25-17-5-4-8-29(21(17)31)15-6-7-15)9-28-10-18(26-22(28)27-20)24-11-23(3,12-24)32-13-24/h4-5,8-10,14-15H,6-7,11-13H2,1-3H3,(H,25,30)/t23-,24-
InChIKey	InChI	1.06	JJZLDWBCAMPSMG-RQNOJGIXSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)Oc1nc2nc(cn2cc1C(=O)NC3=CC=CN(C4CC4)C3=O)C56COC(C)(C5)C6
SMILES	CACTVS	3.385	CC(C)Oc1nc2nc(cn2cc1C(=O)NC3=CC=CN(C4CC4)C3=O)C56COC(C)(C5)C6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6
SMILES	OpenEye OEToolkits	2.0.7	CC(C)Oc1c(cn2cc(nc2n1)C34CC(C3)(OC4)C)C(=O)NC5=CC=CN(C5=O)C6CC6

223790

數據於2024-08-14公開中

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