General Information of the Compound
| Compound ID |
CP0571385
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| Compound Name |
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-butoxyphenyl)acetamide
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| Structure |
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| Formula |
C25H24N2O3
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| Molecular Weight |
400.478
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| Canonical SMILES |
CCCCOc1ccc(CC(=O)Nc2cccc(c2)-c2nc3ccccc3o2)cc1
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| InChI |
InChI=1S/C25H24N2O3/c1-2-3-15-29-21-13-11-18(12-14-21)16-24(28)26-20-8-6-7-19(17-20)25-27-22-9-4-5-10-23(22)30-25/h4-14,17H,2-3,15-16H2,1H3,(H,26,28)
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| InChIKey |
KLIAAVQEQQWAPV-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