General Information of the Compound
| Compound ID |
CP0512641
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| Compound Name |
US9221831, 97
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| Structure |
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| Formula |
C34H43NO6
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| Molecular Weight |
561.719
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(O)CO)OC
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| InChI |
InChI=1S/C34H43NO6/c1-38-27-10-9-24-15-28-32-11-12-34(39-2,25(16-32)20-40-19-22-5-7-23(8-6-22)26(37)18-36)31-33(32,29(24)30(27)41-31)13-14-35(28)17-21-3-4-21/h5-10,21,25-26,28,31,36-37H,3-4,11-20H2,1-2H3/t25-,26?,28-,31-,32-,33+,34-/m1/s1
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| InChIKey |
RTJWYSXNAXKJOC-FEJKDCIJSA-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