General Information of the Compound
| Compound ID |
CP0539959
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| Compound Name |
US9409915, 61
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| Structure |
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| Formula |
C25H26ClF3N6O
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| Molecular Weight |
518.971
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| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2nc(cc(N3CCOCC3)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H26ClF3N6O/c1-24(2,3)21-18(26)20(34(4)33-21)23-31-19-17(35-9-11-36-12-10-35)13-16(30-22(19)32-23)14-7-5-6-8-15(14)25(27,28)29/h5-8,13H,9-12H2,1-4H3,(H,30,31,32)
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| InChIKey |
SUGJDLJBMBGZEA-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