General Information of the Compound
| Compound ID |
CP0518899
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| Compound Name |
US9139578, 2
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| Structure |
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| Formula |
C24H17F4N7O4S2
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| Molecular Weight |
607.571
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(NC(=O)c1ccc(cc1)C(F)(F)F)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C24H17F4N7O4S2/c25-18-8-4-14(10-30-18)13-3-7-16-17(9-13)40-23(32-16)20(22-35-34-19(39-22)11-31-41(29,37)38)33-21(36)12-1-5-15(6-2-12)24(26,27)28/h1-10,20,31H,11H2,(H,33,36)(H2,29,37,38)
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| InChIKey |
LNVSUWHKCKZPIE-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