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8ZK : Summary
Code ![](/pdbe/static/images/help.png)
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8ZK
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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}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
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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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C25 H28 Cl N5 O2 S
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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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498.04 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 |
CCc1cc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(c1)C(=O)NC4CCNCC4 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 |
Canonical SMILES
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CACTVS |
3.385 |
CCc1cc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(c1)C(=O)NC4CCNCC4 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C25H28ClN5O2S/c1-3-16-11-17(23(32)29-18-7-9-27-10-8-18)13-19(12-16)30-25-28-14-21(34-25)24(33)31-22-15(2)5-4-6-20(22)26/h4-6,11-14,18,27H,3,7-10H2,1-2H3,(H,28,30)(H,29,32)(H,31,33) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AVCRYIXULVHLPG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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62 (34 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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2017-03-31
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Last modified at ![](/pdbe/static/images/help.png)
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2017-06-02
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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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