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1CM : Summary
Code ![](/pdbe/static/images/help.png)
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1CM
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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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(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE
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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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C15 H16 N2 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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240.3 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 |
10.04 |
O=C(Nc1ccncc1)C(c2ccccc2)CC |
SMILES
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CACTVS |
3.341 |
CC[CH](C(=O)Nc1ccncc1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCC(c1ccccc1)C(=O)Nc2ccncc2 |
Canonical SMILES
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CACTVS |
3.341 |
CC[C@@H](C(=O)Nc1ccncc1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC[C@H](c1ccccc1)C(=O)Nc2ccncc2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/t14-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | MODBYAQUXXEFRM-CQSZACIVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (18 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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2006-03-16
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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