General Information of the Compound
| Compound ID |
CP0570891
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| Compound Name |
6-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1-benzothiophene-3-carboxylic acid
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| Formula |
C29H26F4N2O4S
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| Molecular Weight |
574.596
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| Canonical SMILES |
OC(=O)c1csc2cc(ccc12)N1CCC(F)(COCc2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1
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| InChI |
InChI=1S/C29H26F4N2O4S/c30-28(9-11-35(12-10-28)18-7-8-19-22(27(36)37)15-40-24(19)13-18)16-38-14-21-25(34-39-26(21)17-5-6-17)20-3-1-2-4-23(20)29(31,32)33/h1-4,7-8,13,15,17H,5-6,9-12,14,16H2,(H,36,37)
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| InChIKey |
VFTQYOGILHKZQY-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