General Information of the Compound
| Compound ID |
CP0068366
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| Compound Name |
1-(4-fluorophenyl)-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C23H24FN5O4S
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| Molecular Weight |
485.541
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| Canonical SMILES |
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C23H24FN5O4S/c1-34(31,32)15-20-14-21(29-10-12-33-13-11-29)28-22(25-20)16-2-6-18(7-3-16)26-23(30)27-19-8-4-17(24)5-9-19/h2-9,14H,10-13,15H2,1H3,(H2,26,27,30)
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| InChIKey |
CTTXJIASTBIXRL-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