General Information of the Compound
| Compound ID |
CP0467226
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| Compound Name |
1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-4-phenylpyrrolidin-2-one
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| Structure |
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| Formula |
C18H22N4OS
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| Molecular Weight |
342.468
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| Canonical SMILES |
CN1CCN(CC1)c1ncc(s1)N1CC(CC1=O)c1ccccc1
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| InChI |
InChI=1S/C18H22N4OS/c1-20-7-9-21(10-8-20)18-19-12-17(24-18)22-13-15(11-16(22)23)14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3
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| InChIKey |
VKDYMPPXSPKJJZ-UHFFFAOYSA-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