General Information of the Compound
| Compound ID |
CP0426600
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| Compound Name |
US9062048, 169
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| Formula |
C25H33F3N4O2
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| Molecular Weight |
478.559
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| Canonical SMILES |
CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H33F3N4O2/c1-15(2)23(34)17-4-7-20(8-5-17)32-13-19(14-32)31-22(33)12-30-24-21-11-18(25(26,27)28)6-3-16(21)9-10-29-24/h3,6,9-11,15,17,19-20,23,34H,4-5,7-8,12-14H2,1-2H3,(H,29,30)(H,31,33)/t17-,20+,23?
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| InChIKey |
HZJITTJLINIJQM-JQUQNNEZSA-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