5V7

8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

Created:	2015-12-07
Last modified:	2016-01-20

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1 entries where 5V7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of 5V7

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Chemical Component Summary
Name	8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Formula	C₁₀ H₇ N₅ O S
Molecular Weight	245.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1scc(n1)c2nccc3C(=O)NC=Nc23
SMILES	OpenEye OEToolkits	2.0.4	c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
Canonical SMILES	CACTVS	3.385	Nc1scc(n1)c2nccc3C(=O)NC=Nc23
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
InChI	InChI	1.03	InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)
InChIKey	InChI	1.03	JEHSMTZNFSEDBY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3774798
PubChem	112499934, 135567105
ChEMBL	CHEMBL3774798

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