General Information of the Compound
| Compound ID |
CP0063569
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| Compound Name |
N-[2-[[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]benzenesulfonamide
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| Structure |
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| Formula |
C28H32N4O5S
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| Molecular Weight |
536.654
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)ccc1OC
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| InChI |
InChI=1S/C28H32N4O5S/c1-3-36-27-17-20(9-11-26(27)35-2)19-32-15-13-21(14-16-32)29-28-30-24-18-22(10-12-25(24)37-28)31-38(33,34)23-7-5-4-6-8-23/h4-12,17-18,21,31H,3,13-16,19H2,1-2H3,(H,29,30)
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| InChIKey |
FPAJMJGGDZGJPZ-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