General Information of the Compound
| Compound ID |
CP0490821
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| Compound Name |
US9216968, 216
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| Structure |
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| Formula |
C23H18F3N5O3
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| Molecular Weight |
469.423
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C23H18F3N5O3/c1-34-12-19-30-18-10-14(29-21(32)15-6-2-3-7-17(15)23(24,25)26)9-16(20(18)31-19)22(33)28-13-5-4-8-27-11-13/h2-11H,12H2,1H3,(H,28,33)(H,29,32)(H,30,31)
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| InChIKey |
PPWBASIHKYMGOC-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