General Information of the Compound
| Compound ID |
CP0200088
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| Compound Name |
1-[4-[4-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea
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| Structure |
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| Formula |
C25H24ClN7O3S
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| Molecular Weight |
538.033
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1
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| InChI |
InChI=1S/C25H24ClN7O3S/c1-27-25(34)31-18-6-4-16(5-7-18)22-14-17(10-12-28-22)21-11-13-29-24(32-21)30-19-8-9-20(26)23(15-19)37(35,36)33(2)3/h4-15H,1-3H3,(H2,27,31,34)(H,29,30,32)
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| InChIKey |
LVHNHGTWHQOKPD-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