General Information of the Compound
| Compound ID |
CP0530385
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| Compound Name |
US9221831, 49
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| Structure |
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| Formula |
C34H42N2O5
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| Molecular Weight |
558.719
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)OC
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| InChI |
InChI=1S/C34H42N2O5/c1-38-26-11-10-23-17-27-32-12-13-34(39-2,24(18-32)20-40-30(37)25(35)16-21-6-4-3-5-7-21)31-33(32,28(23)29(26)41-31)14-15-36(27)19-22-8-9-22/h3-7,10-11,22,24-25,27,31H,8-9,12-20,35H2,1-2H3/t24-,25+,27-,31-,32-,33+,34-/m1/s1
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| InChIKey |
PUYNPIWPDUYEQE-CZLNXFLDSA-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