General Information of the Compound
| Compound ID |
CP0508709
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| Compound Name |
1-(1-benzylsulfonylpyrrolidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-[(5-nitrothiophen-2-yl)methyl]methanamine
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| Structure |
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| Formula |
C24H26ClN3O4S2
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| Molecular Weight |
520.076
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(CC2CCN(C2)S(=O)(=O)Cc2ccccc2)Cc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C24H26ClN3O4S2/c25-22-8-6-19(7-9-22)14-26(17-23-10-11-24(33-23)28(29)30)15-21-12-13-27(16-21)34(31,32)18-20-4-2-1-3-5-20/h1-11,21H,12-18H2
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| InChIKey |
LLZSMVQVUUBYPA-UHFFFAOYSA-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