General Information of the Compound
| Compound ID |
CP0563908
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| Compound Name |
1-(2,5-dimethylphenyl)-3-[4-(1H-indol-3-ylsulfanyl)-6-piperidin-1-ylpyrimidin-2-yl]urea
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| Formula |
C26H28N6OS
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| Molecular Weight |
472.618
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| Canonical SMILES |
Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)c1
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| InChI |
InChI=1S/C26H28N6OS/c1-17-10-11-18(2)21(14-17)28-26(33)31-25-29-23(32-12-6-3-7-13-32)15-24(30-25)34-22-16-27-20-9-5-4-8-19(20)22/h4-5,8-11,14-16,27H,3,6-7,12-13H2,1-2H3,(H2,28,29,30,31,33)
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| InChIKey |
JYMMPNKNRUSXFT-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