General Information of the Compound
| Compound ID |
CP0542716
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| Compound Name |
4-(Benzylthio)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C16H21N5S
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| Molecular Weight |
315.446
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| Canonical SMILES |
CN1CCN(CC1)c1cc(SCc2ccccc2)nc(N)n1
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| InChI |
InChI=1S/C16H21N5S/c1-20-7-9-21(10-8-20)14-11-15(19-16(17)18-14)22-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H2,17,18,19)
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| InChIKey |
DMUWOZJSJMBTIM-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