General Information of the Compound
| Compound ID |
CP0414755
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| Compound Name |
N-(1-adamantyl)-5-[4-(3-methoxyphenyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(cc1)-c1cc(no1)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C27H28N2O3/c1-31-23-4-2-3-22(12-23)20-5-7-21(8-6-20)25-13-24(29-32-25)26(30)28-27-14-17-9-18(15-27)11-19(10-17)16-27/h2-8,12-13,17-19H,9-11,14-16H2,1H3,(H,28,30)
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| InChIKey |
JKGSMLNYFBXICJ-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