General Information of the Compound
| Compound ID |
CP0560035
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| Compound Name |
US9221831, 67
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| Structure |
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| Formula |
C32H39NO5S
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| Molecular Weight |
549.733
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CS(=O)(=O)Cc1ccccc1)OC
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| InChI |
InChI=1S/C32H39NO5S/c1-36-25-11-10-23-16-26-30-12-13-32(37-2,24(17-30)20-39(34,35)19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)38-29)14-15-33(26)18-21-8-9-21/h3-7,10-11,21,24,26,29H,8-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/m1/s1
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| InChIKey |
HUMQONJSWRHQEI-BUVWRSTLSA-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