General Information of the Compound
| Compound ID |
CP0539253
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| Compound Name |
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C24H28F3N3O2
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| Molecular Weight |
447.501
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C24H28F3N3O2/c1-15-7-10-30(11-8-15)22-19(4-6-21(29-22)24(25,26)27)14-28-23(31)16(2)17-3-5-20-18(13-17)9-12-32-20/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,28,31)
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| InChIKey |
QBPFGFGLFIWATB-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