General Information of the Compound
| Compound ID |
CP0469958
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| Compound Name |
US8969325, 279
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| Structure |
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| Formula |
C24H28FN3O5
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| Molecular Weight |
457.502
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| Canonical SMILES |
COCC1(COC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)N(C)c3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C24H28FN3O5/c1-28-20-11-17(7-4-15(20)5-9-22(28)29)26-23(30)27-19-12-24(13-31-2,14-32-3)33-21-8-6-16(25)10-18(19)21/h4,6-8,10-11,19H,5,9,12-14H2,1-3H3,(H2,26,27,30)/t19-/m1/s1
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| InChIKey |
YMKZSFQWULESEU-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