General Information of the Compound
| Compound ID |
CP0436937
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| Compound Name |
4-methyl-N-(4-{4-[3-(propane-2-sulfonylamino)-phenyl]-piperazin-1-yl}-butyl)-benzenesulfonamide
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| Structure |
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| Formula |
C24H36N4O4S2
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| Molecular Weight |
508.71
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| Canonical SMILES |
CC(C)S(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C24H36N4O4S2/c1-20(2)33(29,30)26-22-7-6-8-23(19-22)28-17-15-27(16-18-28)14-5-4-13-25-34(31,32)24-11-9-21(3)10-12-24/h6-12,19-20,25-26H,4-5,13-18H2,1-3H3
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| InChIKey |
ZMFVNZUAHQQACM-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