General Information of the Compound
| Compound ID |
CP0492966
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| Compound Name |
US9434711, 804
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| Structure |
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| Formula |
C20H20N6O2S2
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| Molecular Weight |
440.554
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1ccc(nc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C20H20N6O2S2/c1-13-16-4-2-3-5-18(16)29-20(13)26(11-10-14-6-7-14)30(27,28)15-8-9-17(21-12-15)19-22-24-25-23-19/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,22,23,24,25)
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| InChIKey |
HGLBEMBLBVRYOR-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