General Information of the Compound
| Compound ID |
CP0045806
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| Compound Name |
N-[2-[[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]-1-methylimidazole-4-sulfonamide
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| Structure |
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| Formula |
C26H32N6O5S
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| Molecular Weight |
540.646
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NS(=O)(=O)c4cn(C)cn4)ccc3o2)ccc1OC
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| InChI |
InChI=1S/C26H32N6O5S/c1-4-36-24-13-18(5-7-23(24)35-3)15-32-11-9-19(10-12-32)28-26-29-21-14-20(6-8-22(21)37-26)30-38(33,34)25-16-31(2)17-27-25/h5-8,13-14,16-17,19,30H,4,9-12,15H2,1-3H3,(H,28,29)
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| InChIKey |
STGHOEAVSSPORB-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