General Information of the Compound
| Compound ID |
CP0225953
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| Compound Name |
N-[1-[(3,5-diethoxy-2-fluorophenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C23H28FN3O3
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| Molecular Weight |
413.493
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)c(F)c(OCC)c1
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| InChI |
InChI=1S/C23H28FN3O3/c1-3-28-18-13-16(22(24)21(14-18)29-4-2)15-27-11-9-17(10-12-27)25-23-26-19-7-5-6-8-20(19)30-23/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3,(H,25,26)
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| InChIKey |
HLJJIAHWHFVNJB-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