General Information of the Compound
| Compound ID |
CP0267583
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| Compound Name |
US11078186, Example 144
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| Structure |
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| Formula |
C28H26F6N2O2
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| Molecular Weight |
536.516
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| Canonical SMILES |
C[C@]1(CN(C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H26F6N2O2/c1-25(21-12-14-22(15-13-21)26(38,27(29,30)31)28(32,33)34)18-36(17-23(25)20-10-6-3-7-11-20)24(37)35-16-19-8-4-2-5-9-19/h2-15,23,38H,16-18H2,1H3,(H,35,37)/t23-,25+/m1/s1
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| InChIKey |
XBTSCCZZJWSYDU-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