General Information of the Compound
| Compound ID |
CP0560192
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| Compound Name |
2-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-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 |
C28H24F5N3O4S
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| Molecular Weight |
593.574
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1
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| InChI |
InChI=1S/C28H24F5N3O4S/c29-20-11-16(25(37)38)12-21-23(20)34-26(41-21)36-9-7-27(30,8-10-36)14-39-13-18-22(35-40-24(18)15-5-6-15)17-3-1-2-4-19(17)28(31,32)33/h1-4,11-12,15H,5-10,13-14H2,(H,37,38)
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| InChIKey |
VUPXUXWHLJNHNS-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