General Information of the Compound
| Compound ID |
CP0530384
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| Compound Name |
US9221831, 29
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| Structure |
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| Formula |
C33H42N2O5S
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| Molecular Weight |
578.775
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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)S(C)(=O)=O)OC
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| InChI |
InChI=1S/C33H42N2O5S/c1-38-26-12-11-24-17-27-31-13-14-33(39-2,25(18-31)21-35(41(3,36)37)20-22-7-5-4-6-8-22)30-32(31,28(24)29(26)40-30)15-16-34(27)19-23-9-10-23/h4-8,11-12,23,25,27,30H,9-10,13-21H2,1-3H3/t25-,27-,30-,31-,32+,33-/m1/s1
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| InChIKey |
DZQAFVKZCCYHNH-SROIDHQSSA-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