General Information of the Compound
| Compound ID |
CP0577695
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| Compound Name |
US11078186, Example 129
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| Structure |
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| Formula |
C28H28F8N2O2
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| Molecular Weight |
576.528
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1C[C@@H](c2ccc(cc2)C(F)(C(F)(F)F)C(F)(F)F)[C@](C)(C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28F8N2O2/c1-17(39)37-13-11-19(12-14-37)24(40)38-15-23(25(2,16-38)20-7-9-22(29)10-8-20)18-3-5-21(6-4-18)26(30,27(31,32)33)28(34,35)36/h3-10,19,23H,11-16H2,1-2H3/t23-,25+/m0/s1
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| InChIKey |
NGSPJHSAVUXBGJ-UKILVPOCSA-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