General Information of the Compound
| Compound ID |
CP0873977
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| Compound Name |
SID85809622
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| Structure |
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| Formula |
C38H44N4O6
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| Molecular Weight |
652.792
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1
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| InChI |
InChI=1S/C38H44N4O6/c1-26-22-42(27(2)25-43)37(44)21-29-20-31(40-38(45)39-30-12-17-32(46-4)18-13-30)14-19-35(29)48-36(26)24-41(3)23-28-10-15-34(16-11-28)47-33-8-6-5-7-9-33/h5-20,26-27,36,43H,21-25H2,1-4H3,(H2,39,40,45)/t26-,27-,36-/m1/s1
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| InChIKey |
LMVYLEREBXGKHC-XUJRGEPCSA-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