General Information of the Compound
| Compound ID |
CP0478866
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| Compound Name |
US9216968, 40
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| Structure |
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| Formula |
C24H17F5N4O3
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| Molecular Weight |
504.415
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C24H17F5N4O3/c1-36-11-19-31-18-10-12(30-22(34)13-5-2-3-6-15(13)24(27,28)29)9-14(20(18)32-19)23(35)33-21-16(25)7-4-8-17(21)26/h2-10H,11H2,1H3,(H,30,34)(H,31,32)(H,33,35)
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| InChIKey |
UBMAIGPPCJEVSW-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