General Information of the Compound
| Compound ID |
CP0267584
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| Compound Name |
US11078186, Example 85
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| Structure |
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| Formula |
C28H30F6N2O3
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| Molecular Weight |
556.547
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1C[C@H](c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)[C@@](C)(C1)c1ccccc1
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| InChI |
InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m1/s1
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| InChIKey |
YXYVNJXYQMACDG-NOZRDPDXSA-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