General Information of the Compound
| Compound ID |
CP0574303
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| Compound Name |
US11078186, Example 147
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| Structure |
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| Formula |
C29H28F6N2O2
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| Molecular Weight |
550.543
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| Canonical SMILES |
CC[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H28F6N2O2/c1-2-26(22-11-7-4-8-12-22)19-37(25(38)36-17-20-9-5-3-6-10-20)18-24(26)21-13-15-23(16-14-21)27(39,28(30,31)32)29(33,34)35/h3-16,24,39H,2,17-19H2,1H3,(H,36,38)/t24-,26+/m0/s1
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| InChIKey |
FIBSAWBZGJQYNR-AZGAKELHSA-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