General Information of the Compound
| Compound ID |
CP0395082
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| Compound Name |
2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one
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| Structure |
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| Formula |
C18H18F3N3OS
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| Molecular Weight |
381.423
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| Canonical SMILES |
CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C18H18F3N3OS/c1-12(16(25)24-9-5-6-10-24)26-17-22-14(13-7-3-2-4-8-13)11-15(23-17)18(19,20)21/h2-4,7-8,11-12H,5-6,9-10H2,1H3
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| InChIKey |
SMFHVUMOGMGCKT-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