General Information of the Compound
| Compound ID |
CP0536259
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| Compound Name |
US8969325, 79
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| Structure |
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| Formula |
C24H26FN3O5
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| Molecular Weight |
455.486
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| Canonical SMILES |
COCC1(COC)C[C@@H](NC(=O)Nc2cccc3n(C)c(=O)ccc23)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C24H26FN3O5/c1-28-20-6-4-5-18(16(20)8-10-22(28)29)26-23(30)27-19-12-24(13-31-2,14-32-3)33-21-9-7-15(25)11-17(19)21/h4-11,19H,12-14H2,1-3H3,(H2,26,27,30)/t19-/m1/s1
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| InChIKey |
IQNWVEVAJTWUSB-LJQANCHMSA-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