General Information of the Compound
| Compound ID |
CP0503449
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| Compound Name |
4-(naphthalen-1-ylmethyl)-2-phenacylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C26H24N2O2S
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| Molecular Weight |
428.557
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| Canonical SMILES |
CC(C)c1c(Cc2cccc3ccccc23)nc(SCC(=O)c2ccccc2)[nH]c1=O
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| InChI |
InChI=1S/C26H24N2O2S/c1-17(2)24-22(15-20-13-8-12-18-9-6-7-14-21(18)20)27-26(28-25(24)30)31-16-23(29)19-10-4-3-5-11-19/h3-14,17H,15-16H2,1-2H3,(H,27,28,30)
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| InChIKey |
KBQRWGFDOQHQBI-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