General Information of the Compound
| Compound ID |
CP0952399
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| Compound Name |
SID131412342
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| Structure |
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| Formula |
C35H44ClFN4O7S
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| Molecular Weight |
719.276
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O1
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| InChI |
InChI=1S/C35H44ClFN4O7S/c1-23-20-41(24(2)22-42)34(43)31-19-29(39-49(45,46)30-15-8-26(36)9-16-30)14-17-32(31)48-25(3)7-5-6-18-47-33(23)21-40(4)35(44)38-28-12-10-27(37)11-13-28/h8-17,19,23-25,33,39,42H,5-7,18,20-22H2,1-4H3,(H,38,44)/t23-,24-,25+,33+/m0/s1
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| InChIKey |
FFJPSURNVMPYDI-GZZJDKGESA-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