General Information of the Compound
| Compound ID |
CP0308226
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| Compound Name |
(4R,5R)-4-(2-fluorophenyl)-5-((S)-(5-(4-fluorophenyl)thiophen-2-yl)(hydroxy)methyl)-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C22H19F2NO2S
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| Molecular Weight |
399.462
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| Canonical SMILES |
CN1[C@@H]([C@H](O)c2ccc(s2)-c2ccc(F)cc2)[C@H](CC1=O)c1ccccc1F
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| InChI |
InChI=1S/C22H19F2NO2S/c1-25-20(26)12-16(15-4-2-3-5-17(15)24)21(25)22(27)19-11-10-18(28-19)13-6-8-14(23)9-7-13/h2-11,16,21-22,27H,12H2,1H3/t16-,21-,22-/m1/s1
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| InChIKey |
KGHQISWDCXQGHL-NPFVIJTESA-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