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Summary Geometry Related PDB entries

0VG

Summary

Name:	N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
Formula:	C22 H22 N6
Formal charge:	0
Formula weight:	370.45 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine
OpenEye OEToolkits	1.7.6	N-[6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl]-6-phenyl-imidazo[1,2-b]pyridazin-8-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccn2nc(cc(c12)Nc4nc(N3C(C)CCC3)ccc4)c5ccccc5
InChI	InChI	1.03	InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1
InChIKey	InChI	1.03	OLNOLIZABHZSEW-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.370	C[C@H]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2
SMILES	CACTVS	3.370	C[CH]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5
SMILES	OpenEye OEToolkits	1.7.6	CC1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5

222415

数据于2024-07-10公开中

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