General Information of the Compound
| Compound ID |
CP0405435
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| Compound Name |
US10239843, Example 194
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| Structure |
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| Formula |
C17H16N4O4S
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| Molecular Weight |
372.406
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| Canonical SMILES |
CC1(CC1)NS(=O)(=O)c1ccc2n(CC#C)c(=O)n(CC#N)c(=O)c2c1
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| InChI |
InChI=1S/C17H16N4O4S/c1-3-9-20-14-5-4-12(26(24,25)19-17(2)6-7-17)11-13(14)15(22)21(10-8-18)16(20)23/h1,4-5,11,19H,6-7,9-10H2,2H3
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| InChIKey |
QAVLAAYITNBQOL-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