General Information of the Compound
| Compound ID |
CP0495195
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| Compound Name |
2-[4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C27H32F3N3O3S
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| Molecular Weight |
535.632
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C27H32F3N3O3S/c1-2-15-37(34,35)33-13-9-19(10-14-33)21-3-5-24-22(16-21)17-25(36-24)20-7-11-32(12-8-20)26-6-4-23(18-31-26)27(28,29)30/h3-6,9,16,18,20,25H,2,7-8,10-15,17H2,1H3
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| InChIKey |
DQXXSMOSTVQXSK-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