General Information of the Compound
| Compound ID |
CP0297612
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| Compound Name |
4-[(7-chloranyl-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl)imino]cyclohexa-2,5-dien-1-one
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| Structure |
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| Formula |
C12H7ClN4O4
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| Molecular Weight |
306.665
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| Canonical SMILES |
[O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C12H7ClN4O4/c13-8-5-9(14-6-1-3-7(18)4-2-6)12(17(19)20)11-10(8)15-21-16-11/h1-5,14,18H
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| InChIKey |
OBXCWWZWQQDMOY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3