General Information of the Compound
| Compound ID |
CP0243293
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| Compound Name |
US10245267, Example 145
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| Structure |
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| Formula |
C25H25F3N4O4
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| Molecular Weight |
502.493
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| Canonical SMILES |
Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OCCO)c(c1)N1CCOCC1
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| InChI |
InChI=1S/C25H25F3N4O4/c1-16-21(18-12-22(32-5-8-35-9-6-32)24(30-14-18)36-10-7-33)13-20(15-29-16)31-23(34)17-3-2-4-19(11-17)25(26,27)28/h2-4,11-15,33H,5-10H2,1H3,(H,31,34)
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| InChIKey |
YQOYAEIODQJLFI-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