General Information of the Compound
| Compound ID |
CP0370121
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-phenyl]-amide
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| Structure |
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| Formula |
C28H25Cl2N3O2
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| Molecular Weight |
506.433
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| Canonical SMILES |
CN1CCc2ccccc2C1Cc1ccccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H25Cl2N3O2/c1-17-25(27(32-35-17)26-21(29)11-7-12-22(26)30)28(34)31-23-13-6-4-9-19(23)16-24-20-10-5-3-8-18(20)14-15-33(24)2/h3-13,24H,14-16H2,1-2H3,(H,31,34)
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| InChIKey |
JDWTZBFJMIQXFA-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