General Information of the Compound
| Compound ID |
CP0450177
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| Compound Name |
US8952008, 33
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| Structure |
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| Formula |
C21H20FN5O2S
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| Molecular Weight |
425.489
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(cc1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C(C)C
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| InChI |
InChI=1S/C21H20FN5O2S/c1-13(2)27-12-24-20-18(11-25-26-21(20)27)15-6-9-19(22)17(10-15)14-4-7-16(8-5-14)30(28,29)23-3/h4-13,23H,1-3H3
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| InChIKey |
TZLXIJXUFJJEGC-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