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N64 : Summary
Code ![](/pdbe/static/images/help.png)
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N64
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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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N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea
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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 O2
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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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343.423 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O |
SMILES
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CACTVS |
3.385 |
Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H25N5O2/c1-15-14-17(21-25-15)20-18(24)19-8-5-9-22-10-12-23(13-11-22)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H2,19,20,21,24) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SQDJJFWPLCTNDD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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50 (25 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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2019-05-03
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Last modified at ![](/pdbe/static/images/help.png)
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2019-12-13
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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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