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Summary Geometry Related PDB entries

7WD

Summary

Name:	(6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Formula:	C15 H17 N3 O2
Formal charge:	0
Formula weight:	271.314 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
OpenEye OEToolkits	2.0.6	(6~{S})-6-(1,3-benzodioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c14OCOc1c(CC3CCc2cnc(n2C3)N)ccc4
InChI	InChI	1.03	InChI=1S/C15H17N3O2/c16-15-17-7-12-5-4-10(8-18(12)15)6-11-2-1-3-13-14(11)20-9-19-13/h1-3,7,10H,4-6,8-9H2,(H2,16,17)/t10-/m0/s1
InChIKey	InChI	1.03	GXMMFNNBTMLUSG-JTQLQIEISA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ncc2CC[C@H](Cn12)Cc3cccc4OCOc34
SMILES	CACTVS	3.385	Nc1ncc2CC[CH](Cn12)Cc3cccc4OCOc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c2c(c1)OCO2)CC3CCc4cnc(n4C3)N

221716

數據於2024-06-26公開中

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