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LCW : Summary
Code ![](/pdbe/static/images/help.png)
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LCW
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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-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide
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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 H14 N6 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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294.311 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 |
NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H14N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-9(4-6-10)7-12(16)22/h2-6,8H,1,7H2,(H2,16,22)(H2,17,18,19,20,21) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LSWHKQJKPIFFMY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (22 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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2019-08-05
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-12
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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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