General Information of the Compound
| Compound ID |
CP0503599
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| Compound Name |
US9216968, 25
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| Structure |
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| Formula |
C26H23F3N4O3
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| Molecular Weight |
496.489
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccc(C)cc1
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| InChI |
InChI=1S/C26H23F3N4O3/c1-15-7-9-16(10-8-15)13-30-24(34)19-11-17(12-21-23(19)33-22(32-21)14-36-2)31-25(35)18-5-3-4-6-20(18)26(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)
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| InChIKey |
RJQYQCVVFLFDJR-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