General Information of the Compound
| Compound ID |
CP0044759
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| Compound Name |
3-Hydroxy-naphthalene-2-carboxylic acid (3-nitro-phenyl)-amide
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| Structure |
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| Formula |
C17H12N2O4
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| Molecular Weight |
308.293
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| Canonical SMILES |
Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)
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| InChIKey |
YZJSKRBKHCLMQC-UHFFFAOYSA-N
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| CAS |
135-65-9
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3