General Information of the Compound
| Compound ID |
CP0202928
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| Compound Name |
US10245267, Example 988
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| Structure |
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| Formula |
C23H21F3N4O3
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| Molecular Weight |
458.44
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| Canonical SMILES |
Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1c[nH]c(=O)c(c1)N1CCOCC1
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| InChI |
InChI=1S/C23H21F3N4O3/c1-14-19(16-10-20(22(32)28-12-16)30-5-7-33-8-6-30)11-18(13-27-14)29-21(31)15-3-2-4-17(9-15)23(24,25)26/h2-4,9-13H,5-8H2,1H3,(H,28,32)(H,29,31)
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| InChIKey |
CHNRFCDALGFXRN-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