General Information of the Compound
| Compound ID |
CP0909616
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| Compound Name |
SID104170732
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| Structure |
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| Formula |
C41H52N4O6
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| Molecular Weight |
696.889
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| Canonical SMILES |
COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
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| InChI |
InChI=1S/C41H52N4O6/c1-28-24-45(29(2)27-46)40(47)36-23-33(42-41(48)43-37-15-10-13-32-12-6-7-14-35(32)37)18-21-38(36)51-30(3)11-8-9-22-50-39(28)26-44(4)25-31-16-19-34(49-5)20-17-31/h6-7,10,12-21,23,28-30,39,46H,8-9,11,22,24-27H2,1-5H3,(H2,42,43,48)/t28-,29-,30+,39+/m1/s1
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| InChIKey |
KGUBXXXSQYSQMA-DDAOWKICSA-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