General Information of the Compound
| Compound ID |
CP0467147
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-[2-(2-oxo-piperidin-1-yl)-ethyl]-isoxazole-4-carboxylic acid (4-diethylamino-cyclohexyl)-amide
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| Formula |
C27H36Cl2N4O3
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| Molecular Weight |
535.516
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| Canonical SMILES |
CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCN2CCCCC2=O)onc1-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C27H36Cl2N4O3/c1-3-32(4-2)19-13-11-18(12-14-19)30-27(35)25-22(15-17-33-16-6-5-10-23(33)34)36-31-26(25)24-20(28)8-7-9-21(24)29/h7-9,18-19H,3-6,10-17H2,1-2H3,(H,30,35)/t18-,19-
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| InChIKey |
UOEDZLXKPMCJSH-WGSAOQKQSA-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