General Information of the Compound
| Compound ID |
CP0436834
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| Compound Name |
2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C26H23Cl2N3O4S
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| Molecular Weight |
544.46
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| Canonical SMILES |
OC(=O)c1ccc2nc(sc2c1)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
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| InChI |
InChI=1S/C26H23Cl2N3O4S/c27-18-2-1-3-19(28)22(18)23-17(24(35-30-23)14-4-5-14)13-34-16-8-10-31(11-9-16)26-29-20-7-6-15(25(32)33)12-21(20)36-26/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,32,33)
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| InChIKey |
CFMSSBPIIYAKIY-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