General Information of the Compound
| Compound ID |
CP0500760
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-furan-2-yl)-ethyl]-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C26H29Cl2N3O3
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| Molecular Weight |
502.442
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCC3CCCO3)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C26H29Cl2N3O3/c1-3-31(4-2)18-12-10-17(11-13-18)29-26(32)24-22(15-14-19-7-6-16-33-19)34-30-25(24)23-20(27)8-5-9-21(23)28/h5,8-13,19H,3-4,6-7,14-16H2,1-2H3,(H,29,32)
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| InChIKey |
OJRDJVLOWJDYBJ-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