General Information of the Compound
| Compound ID |
CP0525179
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| Compound Name |
US9221831, 30
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| Structure |
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| Formula |
C34H42N2O4
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| Molecular Weight |
542.72
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)C(C)=O)OC
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| InChI |
InChI=1S/C34H42N2O4/c1-22(37)36(20-23-7-5-4-6-8-23)21-26-18-32-13-14-34(26,39-3)31-33(32)15-16-35(19-24-9-10-24)28(32)17-25-11-12-27(38-2)30(40-31)29(25)33/h4-8,11-12,24,26,28,31H,9-10,13-21H2,1-3H3/t26-,28-,31-,32-,33+,34-/m1/s1
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| InChIKey |
QERDWLFJAPHTPD-DPODCYPTSA-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