General Information of the Compound
| Compound ID |
CP0492527
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| Compound Name |
US8637501, 42
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| Structure |
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| Formula |
C26H27FN4O2
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| Molecular Weight |
446.526
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| Canonical SMILES |
CC(C)N1CCc2[nH]c3cc(ccc3c2CC1)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C26H27FN4O2/c1-17(2)30-10-8-23-22-6-5-20(13-25(22)29-24(23)9-11-30)31-12-7-21(14-26(31)32)33-16-19-4-3-18(27)15-28-19/h3-7,12-15,17,29H,8-11,16H2,1-2H3
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| InChIKey |
YVRRKDLJCWLJEN-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