General Information of the Compound
| Compound ID |
CP0968776
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| Compound Name |
(S)-6-(2-Benzyl-3,3-difluoropyrrolidin-1-yl)-4-morpholinopyridin-2(1H)-one
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| Structure |
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| Formula |
C20H23F2N3O2
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| Molecular Weight |
375.419
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| Canonical SMILES |
O=c1cc(N2CCOCC2)cc(N2CCC(F)(F)[C@@H]2Cc2ccccc2)[nH]1
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| InChI |
InChI=1S/C20H23F2N3O2/c21-20(22)6-7-25(17(20)12-15-4-2-1-3-5-15)18-13-16(14-19(26)23-18)24-8-10-27-11-9-24/h1-5,13-14,17H,6-12H2,(H,23,26)/t17-/m0/s1
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| InChIKey |
IAQPXVJIBLLKDW-KRWDZBQOSA-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