General Information of the Compound
| Compound ID |
CP0435077
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| Compound Name |
US9139578, 11
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| Structure |
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| Formula |
C20H17N7O4S2
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| Molecular Weight |
483.535
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| Canonical SMILES |
CC(=O)NC(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccnn1C
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| InChI |
InChI=1S/C20H17N7O4S2/c1-9(28)22-16(18-26-25-15(31-18)8-14-17(29)24-20(30)33-14)19-23-11-4-3-10(7-13(11)32-19)12-5-6-21-27(12)2/h3-7,14,16H,8H2,1-2H3,(H,22,28)(H,24,29,30)
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| InChIKey |
SYTHTSOALXUEOI-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