General Information of the Compound
| Compound ID |
CP0556789
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| Compound Name |
6-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-1-benzothiophene-3-carboxylic acid
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| Formula |
C31H28F4N2O5S
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| Molecular Weight |
616.633
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| Canonical SMILES |
OC(=O)c1csc2cc(ccc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2
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| InChI |
InChI=1S/C31H28F4N2O5S/c32-30(12-19-7-8-20(13-30)37(19)18-9-10-21-24(29(38)39)15-43-26(21)11-18)16-40-14-23-27(36-42-28(23)17-5-6-17)22-3-1-2-4-25(22)41-31(33,34)35/h1-4,9-11,15,17,19-20H,5-8,12-14,16H2,(H,38,39)
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| InChIKey |
KGSIPXGKNKUPIP-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