MWL

3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine

Created:	2012-05-03
Last modified:	2012-05-03

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1 entries where MWL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	24

2D diagram of MWL

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Chemical Component Summary
Name	3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
Systematic Name (OpenEye OEToolkits)	3-phenyl-4-pyridin-4-yl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
Formula	C₂₃ H₂₁ N₇
Molecular Weight	395.46
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cccnc1N5CCN(c4nnc(c2ccccc2)c(c3ccncc3)c4)CC5
SMILES	CACTVS	3.370	C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5
Canonical SMILES	CACTVS	3.370	C1CN(CCN1c2cc(c3ccncc3)c(nn2)c4ccccc4)c5ncccn5
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2c(cc(nn2)N3CCN(CC3)c4ncccn4)c5ccncc5
InChI	InChI	1.03	InChI=1S/C23H21N7/c1-2-5-19(6-3-1)22-20(18-7-11-24-12-8-18)17-21(27-28-22)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
InChIKey	InChI	1.03	OAXXZZBGZDNSGE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	24743826

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.