General Information of the Compound
| Compound ID |
CP0408126
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| Compound Name |
2-methyl-N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]propanamide
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| Structure |
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| Formula |
C25H36N4O3S
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| Molecular Weight |
472.655
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| Canonical SMILES |
CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
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| InChI |
InChI=1S/C25H36N4O3S/c1-20(2)25(30)27-22-7-6-8-23(19-22)29-17-15-28(16-18-29)14-5-4-13-26-33(31,32)24-11-9-21(3)10-12-24/h6-12,19-20,26H,4-5,13-18H2,1-3H3,(H,27,30)
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| InChIKey |
IACGINNKBMVURM-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