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Summary Geometry Related PDB entries

E32

Summary

Name:	7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one
Formula:	C17 H18 F N5 O
Formal charge:	0
Formula weight:	327.356 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C17H18FN5O/c18-12-7-14-15(8-13(12)21-5-3-10(19)9-21)23(11-1-2-11)17(24)16-20-4-6-22(14)16/h4,6-8,10-11H,1-3,5,9,19H2/t10-/m0/s1
InChIKey	InChI	1.03	FBYRCTKKXBIHCM-JTQLQIEISA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@H]1CCN(C1)c2cc3N(C4CC4)C(=O)c5nccn5c3cc2F
SMILES	CACTVS	3.385	N[CH]1CCN(C1)c2cc3N(C4CC4)C(=O)c5nccn5c3cc2F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5
SMILES	OpenEye OEToolkits	2.0.6	c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CCC(C4)N)F)C5CC5

222415

數據於2024-07-10公開中

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