General Information of the Compound
| Compound ID |
CP0414607
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| Compound Name |
5-[4-(3-acetylphenyl)phenyl]-N-(1-adamantyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C28H28N2O3
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| Molecular Weight |
440.543
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| Canonical SMILES |
CC(=O)c1cccc(c1)-c1ccc(cc1)-c1cc(no1)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C28H28N2O3/c1-17(31)23-3-2-4-24(12-23)21-5-7-22(8-6-21)26-13-25(30-33-26)27(32)29-28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3,(H,29,32)
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| InChIKey |
FMCKAOFHHOBSAF-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