General Information of the Compound
| Compound ID |
CP0493281
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| Compound Name |
US9139578, 3
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| Structure |
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| Formula |
C22H17FN8O4S2
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| Molecular Weight |
540.562
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(NC(=O)c1cccnc1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C22H17FN8O4S2/c23-17-6-4-13(10-26-17)12-3-5-15-16(8-12)36-22(28-15)19(29-20(32)14-2-1-7-25-9-14)21-31-30-18(35-21)11-27-37(24,33)34/h1-10,19,27H,11H2,(H,29,32)(H2,24,33,34)
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| InChIKey |
UMWPONZYXGMPRG-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