General Information of the Compound
| Compound ID |
CP0465865
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| Compound Name |
US9409915, 20
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| Structure |
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| Formula |
C24H25ClF3N5O2
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| Molecular Weight |
507.944
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| Canonical SMILES |
COCCOc1nc(cc2nc([nH]c12)-c1c(Cl)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C24H25ClF3N5O2/c1-23(2,3)20-17(25)19(33(4)32-20)21-29-16-12-15(13-8-6-7-9-14(13)24(26,27)28)30-22(18(16)31-21)35-11-10-34-5/h6-9,12H,10-11H2,1-5H3,(H,29,31)
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| InChIKey |
UZNJWPQDAPQYSY-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