General Information of the Compound
| Compound ID |
CP0051845
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| Compound Name |
(3R,5S)-5-{[(2,5-difluorobenzyl)amino]methyl}-1-(5-propylpyrimidin-2-yl)pyrrolidine-3-thiol
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| Structure |
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| Formula |
C19H24F2N4S
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| Molecular Weight |
378.492
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| Canonical SMILES |
CCCc1cnc(nc1)N1C[C@H](S)CC1CNCc1cc(F)ccc1F
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| InChI |
InChI=1S/C19H24F2N4S/c1-2-3-13-8-23-19(24-9-13)25-12-17(26)7-16(25)11-22-10-14-6-15(20)4-5-18(14)21/h4-6,8-9,16-17,22,26H,2-3,7,10-12H2,1H3/t16?,17-/m1/s1
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| InChIKey |
TZPQMHFSXQOAEF-ZYMOGRSISA-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