General Information of the Compound
| Compound ID |
CP0560188
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| Compound Name |
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-benzothiophene-3-carboxylic acid
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| Formula |
C28H25Cl2FN2O4S
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| Molecular Weight |
575.489
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| Canonical SMILES |
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
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| InChI |
InChI=1S/C28H25Cl2FN2O4S/c29-21-2-1-3-22(30)24(21)25-19(26(37-32-25)16-4-5-16)13-36-15-28(31)8-10-33(11-9-28)17-6-7-18-20(27(34)35)14-38-23(18)12-17/h1-3,6-7,12,14,16H,4-5,8-11,13,15H2,(H,34,35)
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| InChIKey |
IASAYYMYCTUFNZ-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