General Information of the Compound
| Compound ID |
CP0519769
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| Compound Name |
2-[3,3-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)benzamide
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| Structure |
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| Formula |
C25H23F5N4O4
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| Molecular Weight |
538.473
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| Canonical SMILES |
Cn1cnc(c1)-c1ccc(OC2CCN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c(c1)C(N)=O
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| InChI |
InChI=1S/C25H23F5N4O4/c1-33-12-19(32-14-33)16-4-7-20(18(11-16)23(31)36)37-21-8-9-34(13-24(21,26)27)22(35)10-15-2-5-17(6-3-15)38-25(28,29)30/h2-7,11-12,14,21H,8-10,13H2,1H3,(H2,31,36)
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| InChIKey |
ZLCMBRVGAWLHJB-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