General Information of the Compound
| Compound ID |
CP0578125
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| Compound Name |
US8952008, 28
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| Structure |
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| Formula |
C23H21FN4O2S
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| Molecular Weight |
436.512
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(cc1)-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CCC1
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| InChI |
InChI=1S/C23H21FN4O2S/c1-2-31(29,30)18-9-6-15(7-10-18)19-12-16(8-11-21(19)24)20-13-26-27-23-22(20)25-14-28(23)17-4-3-5-17/h6-14,17H,2-5H2,1H3
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| InChIKey |
UVZBMQWKNASQMI-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