General Information of the Compound
| Compound ID |
CP0443476
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| Compound Name |
N-(1-adamantyl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
CN1CCN(Cc2cccc(c2)-c2ccc(cc2)-c2cc(no2)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C32H38N4O2/c1-35-9-11-36(12-10-35)21-22-3-2-4-28(16-22)26-5-7-27(8-6-26)30-17-29(34-38-30)31(37)33-32-18-23-13-24(19-32)15-25(14-23)20-32/h2-8,16-17,23-25H,9-15,18-21H2,1H3,(H,33,37)
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| InChIKey |
QRIXAJZFVNJQLI-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