General Information of the Compound
| Compound ID |
CP0063685
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| Compound Name |
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(trifluoromethoxy)-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C23H26F3N3O4
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| Molecular Weight |
465.472
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(OC(F)(F)F)ccc3o2)ccc1OC
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| InChI |
InChI=1S/C23H26F3N3O4/c1-3-31-21-12-15(4-6-20(21)30-2)14-29-10-8-16(9-11-29)27-22-28-18-13-17(33-23(24,25)26)5-7-19(18)32-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,27,28)
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| InChIKey |
YMMLLSRPFOPFHZ-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