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DZP : Summary
Code
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DZP
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One-letter code
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X
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Molecule name
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7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
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Systematic names
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Formula
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C16 H13 Cl N2 O
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Formal charge
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0
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Molecular weight
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284.74 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc3cc1c(N(C(=O)CN=C1c2ccccc2)C)cc3 |
SMILES
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CACTVS |
3.341 |
CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl |
Canonical SMILES
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CACTVS |
3.341 |
CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl |
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IUPAC InChI | InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
IUPAC InChI key | AAOVKJBEBIDNHE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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33 (20 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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2005-07-26
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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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