General Information of the Compound
| Compound ID |
CP0516353
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| Compound Name |
US9469631, 130
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| Structure |
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| Formula |
C23H26F3N3O4
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| Molecular Weight |
465.472
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| Canonical SMILES |
CC(C)(OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N3O4/c1-22(2,23(24,25)26)33-21(31)28-11-9-18(10-12-28)29(17-7-8-17)20(30)16-5-3-15(4-6-16)19-13-27-14-32-19/h3-6,13-14,17-18H,7-12H2,1-2H3
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| InChIKey |
FTAJWTXSBMZGPW-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