General Information of the Compound
Compound ID |
CP0560568
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Compound Name |
1-[4-(1H-indol-3-ylsulfanyl)-6-piperidin-1-ylpyrimidin-2-yl]-3-(4-methoxyphenyl)urea
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Formula |
C25H26N6O2S
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Molecular Weight |
474.59
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Canonical SMILES |
COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)cc1
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InChI |
InChI=1S/C25H26N6O2S/c1-33-18-11-9-17(10-12-18)27-25(32)30-24-28-22(31-13-5-2-6-14-31)15-23(29-24)34-21-16-26-20-8-4-3-7-19(20)21/h3-4,7-12,15-16,26H,2,5-6,13-14H2,1H3,(H2,27,28,29,30,32)
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InChIKey |
SBXCAEQMTSSNJK-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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