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KJZ : Summary
Code
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KJZ
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One-letter code
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X
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Molecule name
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[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
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Systematic names
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Formula
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C23 H20 Cl N3 O4
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Formal charge
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0
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Molecular weight
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437.876 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Clc3ccccc3NC(=O)CCC(=O)N(/N=C/c2c1ccccc1ccc2)CC(=O)O |
SMILES
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CACTVS |
3.370 |
OC(=O)CN(N=Cc1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1ccc2c(c1)cccc2C=NN(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl |
Canonical SMILES
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CACTVS |
3.370 |
OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl |
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IUPAC InChI | InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+ |
IUPAC InChI key | HHHUDHYQFQBYIZ-AFUMVMLFSA-N |
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wwPDB Information |
Atom count
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51 (31 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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2010-04-21
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Last modified at
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2011-06-04
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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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