General Information of the Compound
| Compound ID |
CP0511435
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| Compound Name |
2-(2-{[(3S)-4-(benzylsulfonyl)-3-methylpiperazin-1-yl]methyl}-4-chlorophenyl)-N-(methylsulfonyl)acetamide
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| Structure |
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| Formula |
C22H28ClN3O5S2
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| Molecular Weight |
514.069
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)NS(C)(=O)=O)CCN1S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C22H28ClN3O5S2/c1-17-14-25(10-11-26(17)33(30,31)16-18-6-4-3-5-7-18)15-20-12-21(23)9-8-19(20)13-22(27)24-32(2,28)29/h3-9,12,17H,10-11,13-16H2,1-2H3,(H,24,27)/t17-/m0/s1
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| InChIKey |
IGJUZAULTLOTPT-KRWDZBQOSA-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