General Information of the Compound
| Compound ID |
CP0907408
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| Compound Name |
SID87543373
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| Structure |
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| Formula |
C33H43Cl2N3O6S2
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| Molecular Weight |
712.762
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C33H43Cl2N3O6S2/c1-22-18-38(23(2)21-39)33(40)27-17-26(36-46(41,42)32-9-7-15-45-32)11-13-30(27)44-24(3)8-5-6-14-43-31(22)20-37(4)19-25-10-12-28(34)29(35)16-25/h7,9-13,15-17,22-24,31,36,39H,5-6,8,14,18-21H2,1-4H3/t22-,23-,24+,31-/m1/s1
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| InChIKey |
VIOGDUQZNOFWDO-FILQNJKGSA-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