GYK

(8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide

Created:	2016-08-01
Last modified:	2016-10-24

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2 entries where GYK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	12

2D diagram of GYK

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Chemical Component Summary
Name	(8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
Systematic Name (OpenEye OEToolkits)	(8~{R})-5-(4-aminophenyl)-~{N},8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide
Formula	C₁₉ H₂₀ N₄ O₃
Molecular Weight	352.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC2Cc1cc4c(cc1C(=NN2C(=O)NC)c3ccc(cc3)N)OCO4
SMILES	CACTVS	3.385	CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[CH]1C
SMILES	OpenEye OEToolkits	2.0.6	CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3
Canonical SMILES	CACTVS	3.385	CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[C@H]1C
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N)OCO3
InChI	InChI	1.03	InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKey	InChI	1.03	SMGACXZFVXKEAX-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	3074805
ChEMBL	CHEMBL411664

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