General Information of the Compound
| Compound ID |
CP0481759
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| Compound Name |
(2R)-2-[1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridine
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| Structure |
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| Formula |
C24H26F4N4O3S
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| Molecular Weight |
526.556
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| Canonical SMILES |
CS(=O)(=O)N1CCC(=CC1)c1cc2C[C@@H](Oc2cn1)C1CCN(CC1)c1ncc(cc1F)C(F)(F)F
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| InChI |
InChI=1S/C24H26F4N4O3S/c1-36(33,34)32-8-4-15(5-9-32)20-10-17-11-21(35-22(17)14-29-20)16-2-6-31(7-3-16)23-19(25)12-18(13-30-23)24(26,27)28/h4,10,12-14,16,21H,2-3,5-9,11H2,1H3/t21-/m1/s1
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| InChIKey |
VBOWIIBNJFCQGR-OAQYLSRUSA-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