General Information of the Compound
| Compound ID |
CP0942469
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| Compound Name |
SID85805577
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| Structure |
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| Formula |
C36H46ClN3O7S
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| Molecular Weight |
700.298
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)C(=O)Cc2ccccc2)[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/C36H46ClN3O7S/c1-25-22-40(26(2)24-41)36(43)32-21-30(38-48(44,45)31-16-13-29(37)14-17-31)15-18-33(32)47-27(3)10-8-9-19-46-34(25)23-39(4)35(42)20-28-11-6-5-7-12-28/h5-7,11-18,21,25-27,34,38,41H,8-10,19-20,22-24H2,1-4H3/t25-,26-,27+,34+/m0/s1
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| InChIKey |
JBIIUXQLCLEPRZ-NSWWAWACSA-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