General Information of the Compound
| Compound ID |
CP0490184
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| Compound Name |
US9018211, 22 (isomer 2)
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| Structure |
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| Formula |
C24H26FN3O4
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| Molecular Weight |
439.487
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| Canonical SMILES |
COc1cc(C(O)CN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)c(F)cc1C#N
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| InChI |
InChI=1S/C24H26FN3O4/c1-31-23-12-20(21(25)11-17(23)13-26)22(29)14-28-8-6-27(7-9-28)5-4-16-2-3-19-18(10-16)15-32-24(19)30/h2-3,10-12,22,29H,4-9,14-15H2,1H3
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| InChIKey |
ONCPSIXPWLFIPY-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