General Information of the Compound
| Compound ID |
CP0447540
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| Compound Name |
1-{phenyl[(phenylacetyl)amino]methyl}-2-naphthyl acetate
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| Structure |
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| Formula |
C27H23NO3
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| Molecular Weight |
409.485
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| Canonical SMILES |
CC(=O)Oc1ccc2ccccc2c1C(NC(=O)Cc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H23NO3/c1-19(29)31-24-17-16-21-12-8-9-15-23(21)26(24)27(22-13-6-3-7-14-22)28-25(30)18-20-10-4-2-5-11-20/h2-17,27H,18H2,1H3,(H,28,30)
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| InChIKey |
GXOGKKIFMLZWLU-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