General Information of the Compound
| Compound ID |
CP0862096
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| Compound Name |
SID87218847
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| Structure |
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| Formula |
C30H35Cl2N3O5S
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| Molecular Weight |
620.599
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C30H35Cl2N3O5S/c1-20-16-35(21(2)19-36)30(37)15-23-14-24(33-41(38,39)25-7-5-4-6-8-25)10-12-28(23)40-29(20)18-34(3)17-22-9-11-26(31)27(32)13-22/h4-14,20-21,29,33,36H,15-19H2,1-3H3/t20-,21+,29+/m1/s1
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| InChIKey |
CBQVGICLIDWTFD-CGQTXMLISA-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