General Information of the Compound
| Compound ID |
CP0045803
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| Compound Name |
N-[1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C26H33N3O4
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| Molecular Weight |
451.567
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC2CCOCC2)c1
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| InChI |
InChI=1S/C26H33N3O4/c1-2-31-22-15-19(16-23(17-22)32-21-9-13-30-14-10-21)18-29-11-7-20(8-12-29)27-26-28-24-5-3-4-6-25(24)33-26/h3-6,15-17,20-21H,2,7-14,18H2,1H3,(H,27,28)
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| InChIKey |
FDVIZOQPGHRQNB-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