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Summary Geometry Related PDB entries

7GL

Summary

Name:	6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
Formula:	C16 H18 N6 O
Formal charge:	0
Formula weight:	310.354 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
OpenEye OEToolkits	2.0.6	6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cc(C)cc1C)Nc2nn3c(c(c2)NC)ncc3C(=O)N
InChI	InChI	1.03	InChI=1S/C16H18N6O/c1-9-4-10(2)6-11(5-9)20-14-7-12(18-3)16-19-8-13(15(17)23)22(16)21-14/h4-8,18H,1-3H3,(H2,17,23)(H,20,21)
InChIKey	InChI	1.03	SNVFFECYFQEWTL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O
SMILES	CACTVS	3.385	CNc1cc(Nc2cc(C)cc(C)c2)nn3c(cnc13)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(cc(c1)Nc2cc(c3ncc(n3n2)C(=O)N)NC)C

227344

數據於2024-11-13公開中

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