General Information of the Compound
| Compound ID |
CP0063602
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| Compound Name |
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C22H26N4O5
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| Molecular Weight |
426.473
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)[N+]([O-])=O)ccc1OC
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| InChI |
InChI=1S/C22H26N4O5/c1-3-30-21-12-15(4-6-20(21)29-2)14-25-10-8-16(9-11-25)23-22-24-18-13-17(26(27)28)5-7-19(18)31-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,23,24)
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| InChIKey |
VJSJPWFDQKGSJE-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