General Information of the Compound
| Compound ID |
CP0458168
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| Compound Name |
5-(3,5-dimethylpiperidin-1-ylsulfonyl)-N,3-dimethyl-N-phenethylbenzofuran-2-carboxamide
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| Structure |
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| Formula |
C26H32N2O4S
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| Molecular Weight |
468.619
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| Canonical SMILES |
CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)N(C)CCc3ccccc3)c(C)c2c1
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| InChI |
InChI=1S/C26H32N2O4S/c1-18-14-19(2)17-28(16-18)33(30,31)22-10-11-24-23(15-22)20(3)25(32-24)26(29)27(4)13-12-21-8-6-5-7-9-21/h5-11,15,18-19H,12-14,16-17H2,1-4H3
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| InChIKey |
PLYULNVAQNVGLF-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