General Information of the Compound
| Compound ID |
CP0944036
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| Compound Name |
SID131410786
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| Structure |
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| Formula |
C34H44F3N3O6S2
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| Molecular Weight |
711.869
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| Canonical SMILES |
C[C@H]1CCCCO[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O1
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| InChI |
InChI=1S/C34H44F3N3O6S2/c1-23-19-40(24(2)22-41)33(42)29-18-28(38-48(43,44)32-9-7-17-47-32)14-15-30(29)46-25(3)8-5-6-16-45-31(23)21-39(4)20-26-10-12-27(13-11-26)34(35,36)37/h7,9-15,17-18,23-25,31,38,41H,5-6,8,16,19-22H2,1-4H3/t23-,24-,25-,31+/m0/s1
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| InChIKey |
LGFCYAUQAJYOOY-QNBZCSHPSA-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