General Information of the Compound
| Compound ID |
CP0494951
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| Compound Name |
US9340500, I-077
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| Structure |
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| Formula |
C27H35F3N4O3
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| Molecular Weight |
520.596
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| Canonical SMILES |
CC(=O)N1CCC(CC1)c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(C)n1CCCN1CCOCC1
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| InChI |
InChI=1S/C27H35F3N4O3/c1-19-24(26(36)31-23-6-3-5-22(17-23)27(28,29)30)18-25(21-7-11-33(12-8-21)20(2)35)34(19)10-4-9-32-13-15-37-16-14-32/h3,5-6,17-18,21H,4,7-16H2,1-2H3,(H,31,36)
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| InChIKey |
OYBGXOBKASKPNG-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