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5LU : Summary
Code
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5LU
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One-letter code
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X
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Molecule name
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Prochloraz
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Systematic names
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Formula
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C15 H16 Cl3 N3 O2
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Formal charge
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0
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Molecular weight
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376.665 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2 |
SMILES
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OpenEye OEToolkits |
2.0.4 |
CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 |
Canonical SMILES
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CACTVS |
3.385 |
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 |
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IUPAC InChI | InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3 |
IUPAC InChI key | TVLSRXXIMLFWEO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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39 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2015-10-21
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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