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Summary Geometry Related PDB entries

361

Summary

Name:	(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine
Formula:	C16 H13 F3 N4
Formal charge:	0
Formula weight:	318.296 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1cc(c(F)cc1F)C4Cc3nc2cnccc2n3CC4N
SMILES_CANONICAL	CACTVS	3.341	N[C@H]1Cn2c(C[C@@H]1c3cc(F)c(F)cc3F)nc4cnccc24
SMILES	CACTVS	3.341	N[CH]1Cn2c(C[CH]1c3cc(F)c(F)cc3F)nc4cnccc24
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F
SMILES	OpenEye OEToolkits	1.5.0	c1cncc2c1n3c(n2)CC(C(C3)N)c4cc(c(cc4F)F)F
InChI	InChI	1.03	InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
InChIKey	InChI	1.03	SOSYXEPELJIJHZ-RNCFNFMXSA-N

222624

數據於2024-07-17公開中

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