General Information of the Compound
| Compound ID |
CP0555314
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| Compound Name |
US8969325, 110
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| Structure |
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| Formula |
C24H28FN3O4
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| Molecular Weight |
441.503
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| Canonical SMILES |
CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2cccc(F)c2O1
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| InChI |
InChI=1S/C24H28FN3O4/c1-3-10-24(11-4-2)13-19(16-6-5-7-17(25)22(16)32-24)28-23(30)26-15-8-9-20-18(12-15)27-21(29)14-31-20/h5-9,12,19H,3-4,10-11,13-14H2,1-2H3,(H,27,29)(H2,26,28,30)/t19-/m1/s1
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| InChIKey |
RZOUYZAYSHFTMA-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