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Summary Geometry Related PDB entries

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Summary

Name:	(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide
Formula:	C19 H20 F3 N5 O2
Formal charge:	0
Formula weight:	407.39 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H20F3N5O2/c1-10-11(2)27-16(15(8-23-27)25-5-3-4-17(25)28)9-26(10)19(29)24-12-6-13(20)18(22)14(21)7-12/h6-8,10-11H,3-5,9H2,1-2H3,(H,24,29)
InChIKey	InChI	1.06	SUOFMBIUXLAFSN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1[C@@H](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4
SMILES	CACTVS	3.385	C[CH]1[CH](C)n2ncc(N3CCCC3=O)c2CN1C(=O)Nc4cc(F)c(F)c(F)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H]1[C@@H](N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C
SMILES	OpenEye OEToolkits	2.0.7	CC1C(N(Cc2n1ncc2N3CCCC3=O)C(=O)Nc4cc(c(c(c4)F)F)F)C

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