General Information of the Compound
| Compound ID |
CP0450745
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| Compound Name |
US9199981, F97
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| Structure |
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| Formula |
C23H20F3N5O3
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| Molecular Weight |
471.439
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| Canonical SMILES |
COC1(CC(C1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N5O3/c1-13-6-7-14(9-16(13)28-20(32)17-12-27-18-5-3-4-8-31(17)18)19-29-21(34-30-19)15-10-22(11-15,33-2)23(24,25)26/h3-9,12,15H,10-11H2,1-2H3,(H,28,32)
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| InChIKey |
PTEZEOLABNJMAJ-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