General Information of the Compound
| Compound ID |
CP0400547
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| Compound Name |
US8969325, 237
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| Structure |
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| Formula |
C23H26FN3O5
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| Molecular Weight |
443.475
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| Canonical SMILES |
COCC1(COC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C23H26FN3O5/c1-30-12-23(13-31-2)11-19(17-9-15(24)5-7-20(17)32-23)27-22(29)25-16-6-3-14-4-8-21(28)26-18(14)10-16/h3,5-7,9-10,19H,4,8,11-13H2,1-2H3,(H,26,28)(H2,25,27,29)/t19-/m1/s1
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| InChIKey |
IIDZIPCPTHVKMP-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