General Information of the Compound
| Compound ID |
CP0885878
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| Compound Name |
SID131411759
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| Structure |
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| Formula |
C37H49FN4O6
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| Molecular Weight |
664.819
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| Canonical SMILES |
COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
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| InChI |
InChI=1S/C37H49FN4O6/c1-25-21-42(26(2)24-43)36(44)33-20-31(40-37(45)39-30-13-11-29(38)12-14-30)15-18-34(33)48-27(3)8-6-7-19-47-35(25)23-41(4)22-28-9-16-32(46-5)17-10-28/h9-18,20,25-27,35,43H,6-8,19,21-24H2,1-5H3,(H2,39,40,45)/t25-,26-,27+,35+/m0/s1
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| InChIKey |
DICSNASCOVLQDJ-JALBGMRZSA-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