General Information of the Compound
| Compound ID |
CP0517240
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| Compound Name |
US9409915, 3
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| Structure |
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| Formula |
C21H20ClF3N6
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| Molecular Weight |
448.88
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| Canonical SMILES |
Cc1nc(nc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H20ClF3N6/c1-10-14-18(28-17(26-10)11-8-6-7-9-12(11)21(23,24)25)29-19(27-14)15-13(22)16(20(2,3)4)30-31(15)5/h6-9H,1-5H3,(H,26,27,28,29)
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| InChIKey |
SQNVDBNHQOMHJW-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