General Information of the Compound
| Compound ID |
CP0552430
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| Compound Name |
2-[4-[[5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Formula |
C27H24F3N3O4S
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| Molecular Weight |
543.567
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(F)(COCc2c(onc2-c2ccccc2F)C2CC2)CC1
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| InChI |
InChI=1S/C27H24F3N3O4S/c28-19-4-2-1-3-17(19)22-18(24(37-32-22)15-5-6-15)13-36-14-27(30)7-9-33(10-8-27)26-31-23-20(29)11-16(25(34)35)12-21(23)38-26/h1-4,11-12,15H,5-10,13-14H2,(H,34,35)
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| InChIKey |
ZYIHHLGFESWKCF-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