General Information of the Compound
| Compound ID |
CP0373030
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| Compound Name |
4-(Benzylamino)-6-(benzylthio)-2-(N-butyl-N-methylamino)-pyrimidine-5-carboxylic Acid
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| Structure |
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| Formula |
C24H28N4O2S
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| Molecular Weight |
436.581
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| Canonical SMILES |
CCCCN(C)c1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
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| InChI |
InChI=1S/C24H28N4O2S/c1-3-4-15-28(2)24-26-21(25-16-18-11-7-5-8-12-18)20(23(29)30)22(27-24)31-17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3,(H,29,30)(H,25,26,27)
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| InChIKey |
FMYRQUPIDVJTCM-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