General Information of the Compound
| Compound ID |
CP0521297
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| Compound Name |
US8889668, I62
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| Structure |
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| Formula |
C23H17F3N2O2
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| Molecular Weight |
410.395
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(-c2ccccc2C)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H17F3N2O2/c1-14-7-3-4-8-16(14)17-12-11-15(13-19(17)23(24,25)26)22-27-21(28-30-22)18-9-5-6-10-20(18)29-2/h3-13H,1-2H3
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| InChIKey |
MQTPFYYKDPAXFU-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