General Information of the Compound
| Compound ID |
CP0082096
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(azepane-1-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C24H23Cl2N3O3
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| Molecular Weight |
472.372
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| Canonical SMILES |
Cc1onc(c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C24H23Cl2N3O3/c1-15-20(22(28-32-15)21-17(25)10-8-11-18(21)26)23(30)27-19-12-5-4-9-16(19)24(31)29-13-6-2-3-7-14-29/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,27,30)
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| InChIKey |
ODLASSFTHORNDH-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