General Information of the Compound
| Compound ID |
CP0574250
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| Compound Name |
US11078186, Example 56
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| Structure |
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| Formula |
C23H23F6NO3
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| Molecular Weight |
475.429
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| Canonical SMILES |
CCOC(=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/C23H23F6NO3/c1-3-33-19(31)30-13-18(20(2,14-30)16-7-5-4-6-8-16)15-9-11-17(12-10-15)21(32,22(24,25)26)23(27,28)29/h4-12,18,32H,3,13-14H2,1-2H3/t18-,20+/m0/s1
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| InChIKey |
XYHMSZPCIZCSPX-AZUAARDMSA-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