General Information of the Compound
| Compound ID |
CP0512796
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| Compound Name |
2-[[5-(6,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaenyl)-2-oxo-4-sulfanylidenepyrimidin-1-yl]methyl]-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C27H22N8O2S2
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| Molecular Weight |
554.661
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| Canonical SMILES |
Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2nc(cs2)C(=O)Nc2nnn[nH]2)c(=O)[nH]c1=S
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| InChI |
InChI=1S/C27H22N8O2S2/c1-14-3-7-18-16(9-14)5-6-17-10-15(2)4-8-19(17)23(18)20-11-35(27(37)30-25(20)38)12-22-28-21(13-39-22)24(36)29-26-31-33-34-32-26/h3-11,13,23H,12H2,1-2H3,(H,30,37,38)(H2,29,31,32,33,34,36)
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| InChIKey |
VUAWYUULKIUKAO-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