General Information of the Compound
| Compound ID |
CP0431880
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| Compound Name |
9-(4-methoxyphenyl)-6-methyl-13-methylsulfanyl-2,4,5,8,12,14-hexazatricyclo[8.4.0.03,7]tetradeca-1(14),3,6,8,10,12-hexaene
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| Structure |
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| Formula |
C17H16N6OS
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| Molecular Weight |
352.423
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| Canonical SMILES |
COc1ccc(cc1)C1=Nc2c(Nc3nc(SC)ncc13)n[nH]c2C
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| InChI |
InChI=1S/C17H16N6OS/c1-9-13-16(23-22-9)20-15-12(8-18-17(21-15)25-3)14(19-13)10-4-6-11(24-2)7-5-10/h4-8H,1-3H3,(H2,18,20,21,22,23)
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| InChIKey |
SJGVDZUEKGHLFJ-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