General Information of the Compound
| Compound ID |
CP0882033
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| Compound Name |
SID131411823
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| Structure |
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| Formula |
C37H48F3N3O7S
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| Molecular Weight |
735.866
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1
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| InChI |
InChI=1S/C37H48F3N3O7S/c1-25-21-43(26(2)24-44)36(45)33-20-30(41-51(46,47)32-16-14-31(48-5)15-17-32)13-18-34(33)50-27(3)8-6-7-19-49-35(25)23-42(4)22-28-9-11-29(12-10-28)37(38,39)40/h9-18,20,25-27,35,41,44H,6-8,19,21-24H2,1-5H3/t25-,26-,27-,35+/m0/s1
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| InChIKey |
LFZLAWVTNRSJHJ-BYIYZAFRSA-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