General Information of the Compound
| Compound ID |
CP0960303
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| Compound Name |
US9340542, 5
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| Structure |
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| Formula |
C26H30N2O4
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| Molecular Weight |
434.536
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| Canonical SMILES |
COC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(OC)cc13)C2
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| InChI |
InChI=1S/C26H30N2O4/c1-31-19-6-5-17-11-25-12-18-9-20(24(30)32-2)23(29)27-22(18)13-26(25,21(17)10-19)7-8-28(15-25)14-16-3-4-16/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,27,29)/t25-,26-/m1/s1
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| InChIKey |
QCMLBRSBSVTYBS-CLJLJLNGSA-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