General Information of the Compound
| Compound ID |
CP0550455
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| Compound Name |
US11254663, Example 157
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| Structure |
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| Formula |
C32H38FN5O3
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| Molecular Weight |
559.686
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| Canonical SMILES |
CC(C)(C)c1nc(no1)C12CCC(CN(C(=O)C34CC(F)(C3)C4)c3cccc(c3)-c3nnc(o3)C3CC3)(CC1)CC2
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| InChI |
InChI=1S/C32H38FN5O3/c1-28(2,3)26-34-25(37-41-26)30-12-9-29(10-13-30,11-14-30)19-38(27(39)31-16-32(33,17-31)18-31)22-6-4-5-21(15-22)24-36-35-23(40-24)20-7-8-20/h4-6,15,20H,7-14,16-19H2,1-3H3
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| InChIKey |
XUWUKXRBHHAXLU-UHFFFAOYSA-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