General Information of the Compound
| Compound ID |
CP0184651
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| Compound Name |
3-Biphenyl-2-yl-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H27N3O2/c1-4-30(5-2)22-17-15-21(16-18-22)28-27(31)25-19(3)32-29-26(25)24-14-10-9-13-23(24)20-11-7-6-8-12-20/h6-18H,4-5H2,1-3H3,(H,28,31)
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| InChIKey |
SHENWHNZEBMYCR-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