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Summary Geometry Related PDB entries

3GF

Summary

Name:	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Formula:	C24 H23 N5
Formal charge:	0
Formula weight:	381.473 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
OpenEye OEToolkits	1.7.6	6-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-4-pyridin-4-yl-pyridazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4nc(c2cc1ccccc1cc2)c(c3ccncc3)cc4N5CCN(C)CC5
InChI	InChI	1.03	InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3
InChIKey	InChI	1.03	CIIVUDIZZJLXCN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccccc5c4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5
SMILES	OpenEye OEToolkits	1.7.6	CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5

222926

数据于2024-07-24公开中

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