General Information of the Compound
| Compound ID |
CP0568967
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| Compound Name |
US9139578, 10
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| Structure |
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| Formula |
C18H16FN7O4S2
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| Molecular Weight |
477.503
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| Canonical SMILES |
CC(=O)NC(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C18H16FN7O4S2/c1-9(27)23-16(17-26-25-15(30-17)8-22-32(20,28)29)18-24-12-4-2-10(6-13(12)31-18)11-3-5-14(19)21-7-11/h2-7,16,22H,8H2,1H3,(H,23,27)(H2,20,28,29)
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| InChIKey |
GTZDHAYHALABLH-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