General Information of the Compound
| Compound ID |
CP0166398
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| Compound Name |
4-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl}butanoyl)morpholine
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| Structure |
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| Formula |
C20H22F3N3O5S
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| Molecular Weight |
473.473
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| Canonical SMILES |
COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3
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| InChIKey |
LEOXTJRUFANINQ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3