General Information of the Compound
| Compound ID |
CP0577352
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| Compound Name |
US9428456, 2.079
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| Structure |
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| Formula |
C27H35F3N4O2
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| Molecular Weight |
504.597
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| Canonical SMILES |
CCCCCCN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C27H35F3N4O2/c1-3-4-5-6-15-33(2)26(36)21-13-16-34(17-14-21)19-20-9-7-10-22(18-20)31-25(35)23-11-8-12-24(32-23)27(28,29)30/h7-12,18,21H,3-6,13-17,19H2,1-2H3,(H,31,35)
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| InChIKey |
KAZAGNDXRBFOQZ-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