General Information of the Compound
| Compound ID |
CP0417553
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| Compound Name |
1-(4-(2-methoxyphenyl)piperazin-1-yl)-2-(4-phenyl-6-(trifluoromethyl)pyrimidin-2-ylthio)propan-1-one
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| Structure |
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| Formula |
C25H25F3N4O2S
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| Molecular Weight |
502.562
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)C(C)Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C25H25F3N4O2S/c1-17(23(33)32-14-12-31(13-15-32)20-10-6-7-11-21(20)34-2)35-24-29-19(18-8-4-3-5-9-18)16-22(30-24)25(26,27)28/h3-11,16-17H,12-15H2,1-2H3
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| InChIKey |
CJYCXOVKCZVPMO-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