General Information of the Compound
| Compound ID |
CP0524427
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| Compound Name |
US8969325, 107
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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)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C24H28FN3O4/c1-3-9-24(10-4-2)13-19(17-11-15(25)5-7-20(17)32-24)28-23(30)26-16-6-8-21-18(12-16)27-22(29)14-31-21/h5-8,11-12,19H,3-4,9-10,13-14H2,1-2H3,(H,27,29)(H2,26,28,30)/t19-/m1/s1
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| InChIKey |
MYULXLHTSVXRDV-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