General Information of the Compound
| Compound ID |
CP0478258
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| Compound Name |
US9221831, 65
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| Structure |
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| Formula |
C34H43NO4
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| Molecular Weight |
529.721
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(C)(C)OCc1ccccc1)OC
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| InChI |
InChI=1S/C34H43NO4/c1-31(2,38-21-23-8-6-5-7-9-23)26-19-32-14-15-34(26,37-4)30-33(32)16-17-35(20-22-10-11-22)27(32)18-24-12-13-25(36-3)29(39-30)28(24)33/h5-9,12-13,22,26-27,30H,10-11,14-21H2,1-4H3/t26-,27-,30-,32-,33+,34-/m1/s1
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| InChIKey |
RKMVNNPISYBZSA-MWDYHDBRSA-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