General Information of the Compound
| Compound ID |
CP0533201
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| Compound Name |
1-(4-chlorophenyl)-3-[4-(1H-indol-3-ylsulfanyl)-6-piperidin-1-ylpyrimidin-2-yl]urea
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| Formula |
C24H23ClN6OS
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| Molecular Weight |
479.009
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C24H23ClN6OS/c25-16-8-10-17(11-9-16)27-24(32)30-23-28-21(31-12-4-1-5-13-31)14-22(29-23)33-20-15-26-19-7-3-2-6-18(19)20/h2-3,6-11,14-15,26H,1,4-5,12-13H2,(H2,27,28,29,30,32)
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| InChIKey |
GTFWXAUPBIZYFW-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