General Information of the Compound
| Compound ID |
CP0553909
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| Compound Name |
6-[4-[[5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-benzothiophene-3-carboxylic acid
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| Formula |
C28H26F2N2O4S
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| Molecular Weight |
524.589
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| Canonical SMILES |
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2ccccc2F)C2CC2)CC1
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| InChI |
InChI=1S/C28H26F2N2O4S/c29-23-4-2-1-3-20(23)25-21(26(36-31-25)17-5-6-17)14-35-16-28(30)9-11-32(12-10-28)18-7-8-19-22(27(33)34)15-37-24(19)13-18/h1-4,7-8,13,15,17H,5-6,9-12,14,16H2,(H,33,34)
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| InChIKey |
UXHMCHZIXBEVDZ-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