General Information of the Compound
| Compound ID |
CP0471065
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| Compound Name |
N-benzyl-4-(benzylamino)-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H19ClN4OS
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| Molecular Weight |
398.919
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| Canonical SMILES |
CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1
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| InChI |
InChI=1S/C20H19ClN4OS/c1-27-20-24-17(21)16(19(26)23-13-15-10-6-3-7-11-15)18(25-20)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,23,26)(H,22,24,25)
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| InChIKey |
LSKRIICJSMZULU-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