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P8Z : Summary
Code ![](/pdbe/static/images/help.png)
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P8Z
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C18 H25 N5 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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327.424 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C |
Canonical SMILES
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CACTVS |
3.385 |
CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HONYBLSJNSYWKQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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49 (24 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-04-18
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-19
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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