General Information of the Compound
| Compound ID |
CP0459014
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| Compound Name |
US9079902, 55
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| Structure |
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| Formula |
C17H16N6O2S2
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| Molecular Weight |
400.489
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| Canonical SMILES |
Cn1cc(-c2cnn(c2)C2CC2)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C17H16N6O2S2/c1-22-9-15(11-7-19-23(8-11)12-2-3-12)14-5-4-13(6-16(14)22)27(24,25)21-17-18-10-20-26-17/h4-10,12H,2-3H2,1H3,(H,18,20,21)
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| InChIKey |
BUZQYWYNCQKZIN-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