General Information of the Compound
| Compound ID |
CP0532383
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| Compound Name |
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C25H28ClFN6O3S
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| Molecular Weight |
547.056
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H28ClFN6O3S/c1-2-17-37(35,36)32-15-12-19(13-16-32)29-24-28-14-11-23(31-24)33(20-9-7-18(27)8-10-20)25(34)30-22-6-4-3-5-21(22)26/h3-11,14,19H,2,12-13,15-17H2,1H3,(H,30,34)(H,28,29,31)
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| InChIKey |
YQCJIYCSEKMOQS-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