General Information of the Compound
| Compound ID |
CP0177108
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| Compound Name |
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-3-fluoro-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Formula |
C30H26F5N3O5S
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| Molecular Weight |
635.611
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2
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| InChI |
InChI=1S/C30H26F5N3O5S/c31-21-9-16(27(39)40)10-23-25(21)36-28(44-23)38-17-7-8-18(38)12-29(32,11-17)14-41-13-20-24(37-43-26(20)15-5-6-15)19-3-1-2-4-22(19)42-30(33,34)35/h1-4,9-10,15,17-18H,5-8,11-14H2,(H,39,40)
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| InChIKey |
VXKIHLJIONPCOA-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