General Information of the Compound
| Compound ID |
CP0301677
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| Compound Name |
2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-1,3-benzothiazole
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| Structure |
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| Formula |
C21H20N2O2S
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| Molecular Weight |
364.47
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| Canonical SMILES |
C(N1CCCCC1)c1cc2ccc(Oc3nc4ccccc4s3)cc2o1
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| InChI |
InChI=1S/C21H20N2O2S/c1-4-10-23(11-5-1)14-17-12-15-8-9-16(13-19(15)24-17)25-21-22-18-6-2-3-7-20(18)26-21/h2-3,6-9,12-13H,1,4-5,10-11,14H2
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| InChIKey |
QPQWRRGUTIAUBL-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