General Information of the Compound
| Compound ID |
CP0575628
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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-methylindole-3-carboxylic acid
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| Formula |
C32H31F4N3O5
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| Molecular Weight |
613.608
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| Canonical SMILES |
Cn1cc(C(O)=O)c2ccc(cc12)N1C2CCC1CC(F)(COCc1c(onc1-c1ccccc1OC(F)(F)F)C1CC1)C2
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| InChI |
InChI=1S/C32H31F4N3O5/c1-38-15-24(30(40)41)22-11-10-19(12-26(22)38)39-20-8-9-21(39)14-31(33,13-20)17-42-16-25-28(37-44-29(25)18-6-7-18)23-4-2-3-5-27(23)43-32(34,35)36/h2-5,10-12,15,18,20-21H,6-9,13-14,16-17H2,1H3,(H,40,41)
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| InChIKey |
NINYJOWJFLWTAO-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