General Information of the Compound
| Compound ID |
CP0486330
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| Compound Name |
US9409915, 79
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| Structure |
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| Formula |
C23H24F3N5O2
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| Molecular Weight |
459.472
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| Canonical SMILES |
COc1c(nn(C)c1-c1nc2cc(nc(OC)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H24F3N5O2/c1-22(2,3)19-18(32-5)17(31(4)30-19)20-27-15-11-14(28-21(33-6)16(15)29-20)12-9-7-8-10-13(12)23(24,25)26/h7-11H,1-6H3,(H,27,29)
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| InChIKey |
HSKWXHNAPILKQD-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