General Information of the Compound
| Compound ID |
CP0229547
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| Compound Name |
1-[1-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
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| Structure |
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| Formula |
C25H25N3O3S
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| Molecular Weight |
447.56
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| Canonical SMILES |
O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1
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| InChI |
InChI=1S/C25H25N3O3S/c29-24-6-3-11-28(24)18-9-12-27(13-10-18)15-17-16-30-22-14-19(7-8-20(17)22)31-25-26-21-4-1-2-5-23(21)32-25/h1-2,4-5,7-8,14,16,18H,3,6,9-13,15H2
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| InChIKey |
QBEVTSZSJWVEJZ-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