General Information of the Compound
| Compound ID |
CP0910085
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| Compound Name |
US9328120, 12
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| Structure |
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| Formula |
C18H20F2N6OS
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| Molecular Weight |
406.462
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| Canonical SMILES |
Nc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)cs1
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| InChI |
InChI=1S/C18H20F2N6OS/c19-18(20)5-3-9(4-6-18)26-15-12(7-22-26)16(27)25-14(24-15)11-2-1-10(11)13-8-28-17(21)23-13/h7-11H,1-6H2,(H2,21,23)(H,24,25,27)/t10-,11-/m1/s1
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| InChIKey |
OIJUAOFHVQHSKX-GHMZBOCLSA-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