General Information of the Compound
| Compound ID |
CP0523307
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| Compound Name |
US9139578, 4
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| Structure |
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| Formula |
C24H21FN8O4S2
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| Molecular Weight |
568.616
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(NC(=O)NCc1ccccc1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C24H21FN8O4S2/c25-19-9-7-16(12-27-19)15-6-8-17-18(10-15)38-23(30-17)21(22-33-32-20(37-22)13-29-39(26,35)36)31-24(34)28-11-14-4-2-1-3-5-14/h1-10,12,21,29H,11,13H2,(H2,26,35,36)(H2,28,31,34)
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| InChIKey |
DBAAWIFIFDKZQX-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