General Information of the Compound
| Compound ID |
CP0481362
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| Compound Name |
N-(1-adamantyl)-5-[4-(3-cyanophenyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C27H25N3O2
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| Molecular Weight |
423.516
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| Canonical SMILES |
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(on1)-c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H25N3O2/c28-16-17-2-1-3-23(11-17)21-4-6-22(7-5-21)25-12-24(30-32-25)26(31)29-27-13-18-8-19(14-27)10-20(9-18)15-27/h1-7,11-12,18-20H,8-10,13-15H2,(H,29,31)
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| InChIKey |
HQXIDABHEQVSPS-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