General Information of the Compound
| Compound ID |
CP0419937
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| Compound Name |
US9139578, 14
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| Structure |
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| Formula |
C22H24N6O5S2
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| Molecular Weight |
516.605
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C22H24N6O5S2/c1-22(2,3)33-21(29)26-18(19-28-27-17(32-19)12-24-35(23,30)31)20-25-15-10-9-14(11-16(15)34-20)13-7-5-4-6-8-13/h4-11,18,24H,12H2,1-3H3,(H,26,29)(H2,23,30,31)
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| InChIKey |
BVCVIKQSQRKZHP-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