General Information of the Compound
| Compound ID |
CP0159794
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| Compound Name |
US10273259, Example 13
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| Structure |
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| Formula |
C29H28F8N2O4S
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| Molecular Weight |
652.604
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H28F8N2O4S/c1-17(40)38-13-10-18(11-14-38)25(41)39-15-12-26(44(42,43)22-6-4-21(30)5-7-22)23-8-3-20(16-19(23)2-9-24(26)39)27(31,28(32,33)34)29(35,36)37/h3-8,16,18,24H,2,9-15H2,1H3/t24-,26-/m1/s1
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| InChIKey |
KRFUPWONDXEJMB-AOYPEHQESA-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