General Information of the Compound
| Compound ID |
CP0186436
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| Compound Name |
1-methyl-3-[4-[4-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]pyridin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C24H23N7O3S
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| Molecular Weight |
489.561
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
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| InChI |
InChI=1S/C24H23N7O3S/c1-15-3-6-19(14-22(15)35(25,33)34)29-23-28-12-10-20(31-23)17-9-11-27-21(13-17)16-4-7-18(8-5-16)30-24(32)26-2/h3-14H,1-2H3,(H2,25,33,34)(H2,26,30,32)(H,28,29,31)
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| InChIKey |
DYJPWLNHQUODAE-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