General Information of the Compound
| Compound ID |
CP0572425
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| Compound Name |
US9233953, 106
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| Structure |
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| Formula |
C19H20F4N4O4S
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| Molecular Weight |
476.452
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| Canonical SMILES |
Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C19H20F4N4O4S/c20-14-4-2-1-3-13(14)15-11-26(18-24-17(31-25-18)19(21,22)23)7-8-27(15)16(28)12-5-9-32(29,30)10-6-12/h1-4,12,15H,5-11H2
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| InChIKey |
IPGJQGGLNODRMX-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