General Information of the Compound
| Compound ID |
CP0444795
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| Compound Name |
2-[4-[[5-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Formula |
C28H24F5N3O5S
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| Molecular Weight |
609.573
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2cccc(OC(F)(F)F)c2)C2CC2)CC1
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| InChI |
InChI=1S/C28H24F5N3O5S/c29-20-11-17(25(37)38)12-21-23(20)34-26(42-21)36-8-6-27(30,7-9-36)14-39-13-19-22(35-41-24(19)15-4-5-15)16-2-1-3-18(10-16)40-28(31,32)33/h1-3,10-12,15H,4-9,13-14H2,(H,37,38)
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| InChIKey |
CPPDRROZAXHHPG-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