General Information of the Compound
| Compound ID |
CP0507305
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| Compound Name |
US9409915, 75
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| Structure |
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| Formula |
C22H18ClF3N6
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| Molecular Weight |
458.875
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| Canonical SMILES |
Cn1nc(c(C#N)c1-c1nc2cc(nc(Cl)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C22H18ClF3N6/c1-21(2,3)18-12(10-27)17(32(4)31-18)20-29-15-9-14(28-19(23)16(15)30-20)11-7-5-6-8-13(11)22(24,25)26/h5-9H,1-4H3,(H,29,30)
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| InChIKey |
FKUJRIAILUOOST-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