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Summary Geometry Related PDB entries

GDZ

Summary

Name:	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
Synonyms:	SMN-C5
Formula:	C21 H21 F N6 O
Formal charge:	0
Formula weight:	392.429 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3
InChIKey	InChI	1.03	OCIABPGRNCLBEI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4
SMILES	CACTVS	3.385	CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=N3)N5CCN(CC5)C

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