General Information of the Compound
| Compound ID |
CP0563909
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| Compound Name |
1-(4-chlorophenyl)-3-[4-(1H-indol-3-ylsulfanyl)-6-pyrrolidin-1-ylpyrimidin-2-yl]urea
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| Formula |
C23H21ClN6OS
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| Molecular Weight |
464.982
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCC2)cc1
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| InChI |
InChI=1S/C23H21ClN6OS/c24-15-7-9-16(10-8-15)26-23(31)29-22-27-20(30-11-3-4-12-30)13-21(28-22)32-19-14-25-18-6-2-1-5-17(18)19/h1-2,5-10,13-14,25H,3-4,11-12H2,(H2,26,27,28,29,31)
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| InChIKey |
QDUNYEPPVMECSL-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