General Information of the Compound
| Compound ID |
CP0352160
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| Compound Name |
(4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-yl)methyl)-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C21H19FN2O2S
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| Molecular Weight |
382.46
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| Canonical SMILES |
CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1F
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| InChI |
InChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3/t15-,20-,21-/m1/s1
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| InChIKey |
ANECZFSQWGGBGJ-IPHXSNPTSA-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