General Information of the Compound
| Compound ID |
CP0468196
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| Compound Name |
US8901315, 111
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| Structure |
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| Formula |
C20H24N4O3S2
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| Molecular Weight |
432.571
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| Canonical SMILES |
CNS(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)c1
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| InChI |
InChI=1S/C20H24N4O3S2/c1-13-17-12-18(28-20(17)24(23-13)15-8-4-3-5-9-15)19(25)22-14-7-6-10-16(11-14)29(26,27)21-2/h6-7,10-12,15,21H,3-5,8-9H2,1-2H3,(H,22,25)
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| InChIKey |
PDKLJIBHLYFTHJ-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