General Information of the Compound
| Compound ID |
CP0888321
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| Compound Name |
US8993612, 17
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| Structure |
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| Formula |
C23H17F3N4O
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| Molecular Weight |
422.41
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| Canonical SMILES |
O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C23H17F3N4O/c24-23(25,26)21-13-20(14-3-4-14)30(29-21)18-8-6-17(7-9-18)28-22(31)16-5-10-19-15(12-16)2-1-11-27-19/h1-2,5-14H,3-4H2,(H,28,31)
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| InChIKey |
CIWBOSXDTXNQJQ-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