General Information of the Compound
| Compound ID |
CP0529489
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| Compound Name |
US9409915, 21
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| Structure |
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| Formula |
C25H25F3N6O2
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| Molecular Weight |
498.509
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| Canonical SMILES |
COCCOc1nc(cc2nc([nH]c12)-c1c(C#N)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H25F3N6O2/c1-24(2,3)21-15(13-29)20(34(4)33-21)22-30-18-12-17(14-8-6-7-9-16(14)25(26,27)28)31-23(19(18)32-22)36-11-10-35-5/h6-9,12H,10-11H2,1-5H3,(H,30,32)
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| InChIKey |
NTFWTSKLGPLWDG-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