General Information of the Compound
| Compound ID |
CP0560061
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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-ethylindole-3-carboxylic acid
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| Formula |
C33H33F4N3O5
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| Molecular Weight |
627.635
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| Canonical SMILES |
CCn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2
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| InChI |
InChI=1S/C33H33F4N3O5/c1-2-39-16-25(31(41)42)23-12-11-20(13-27(23)39)40-21-9-10-22(40)15-32(34,14-21)18-43-17-26-29(38-45-30(26)19-7-8-19)24-5-3-4-6-28(24)44-33(35,36)37/h3-6,11-13,16,19,21-22H,2,7-10,14-15,17-18H2,1H3,(H,41,42)
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| InChIKey |
ZRXCKVDAHZVNHV-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