General Information of the Compound
| Compound ID |
CP0481067
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| Compound Name |
3-[[1-[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C29H32F3N5O5
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| Molecular Weight |
587.599
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| Canonical SMILES |
CC1CCCN(C1)c1nc(c(o1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F3N5O5/c1-18-4-3-11-37(16-18)28-35-25(29(30,31)32)24(42-28)26(38)34-21-7-8-23(33-15-21)36-12-9-19(10-13-36)17-41-22-6-2-5-20(14-22)27(39)40/h2,5-8,14-15,18-19H,3-4,9-13,16-17H2,1H3,(H,34,38)(H,39,40)
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| InChIKey |
UGBQERWGDVPIIU-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