General Information of the Compound
| Compound ID |
CP0073981
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| Compound Name |
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C22H26FN3O3
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| Molecular Weight |
399.466
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCCF
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| InChI |
InChI=1S/C22H26FN3O3/c1-27-20-7-6-16(14-21(20)28-13-10-23)15-26-11-8-17(9-12-26)24-22-25-18-4-2-3-5-19(18)29-22/h2-7,14,17H,8-13,15H2,1H3,(H,24,25)
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| InChIKey |
IGQABOYVCUNLKM-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