General Information of the Compound
| Compound ID |
CP0474874
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| Compound Name |
2-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]azepan-1-yl]-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C28H26F3N3O5S
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| Molecular Weight |
573.593
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| Canonical SMILES |
OC(=O)c1ccc2nc(sc2c1)N1CCCC(CC1)OCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1
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| InChI |
InChI=1S/C28H26F3N3O5S/c29-28(30,31)38-22-6-2-1-5-19(22)24-20(25(39-33-24)16-7-8-16)15-37-18-4-3-12-34(13-11-18)27-32-21-10-9-17(26(35)36)14-23(21)40-27/h1-2,5-6,9-10,14,16,18H,3-4,7-8,11-13,15H2,(H,35,36)
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| InChIKey |
RWKZSKHKXRYDMF-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