General Information of the Compound
| Compound ID |
CP0444796
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| Compound Name |
2-[4-[[3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C27H23ClF3N3O4S
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| Molecular Weight |
578.012
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2c(F)cccc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C27H23ClF3N3O4S/c28-17-2-1-3-18(29)21(17)22-16(24(38-33-22)14-4-5-14)12-37-13-27(31)6-8-34(9-7-27)26-32-23-19(30)10-15(25(35)36)11-20(23)39-26/h1-3,10-11,14H,4-9,12-13H2,(H,35,36)
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| InChIKey |
NXZFXWMSOYQGPE-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