General Information of the Compound
| Compound ID |
CP0450494
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| Compound Name |
CHEMBL2316439
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| Formula |
C41H49NO9
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| Molecular Weight |
699.841
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| Canonical SMILES |
COc1ccc(cc1)C(C(=O)O[C@H]1CC[C@H](CC1)N(C)[C@@H]1CC[C@@H](CC1)OC(=O)C#Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C41H49NO9/c1-42(30-12-20-34(21-13-30)50-38(43)24-7-27-25-36(47-4)40(49-6)37(26-27)48-5)31-14-22-35(23-15-31)51-41(44)39(28-8-16-32(45-2)17-9-28)29-10-18-33(46-3)19-11-29/h8-11,16-19,25-26,30-31,34-35,39H,12-15,20-23H2,1-6H3/t30-,31-,34+,35+
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| InChIKey |
RBRDQAJOBKZMHD-ZEIODQBDSA-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