General Information of the Compound
| Compound ID |
CP0485850
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| Compound Name |
N-[3-[4-[4-[(4-methylphenyl)sulfonylamino]butyl]piperazin-1-yl]phenyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H34N4O3S
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| Molecular Weight |
470.639
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C25H34N4O3S/c1-20-7-11-24(12-8-20)33(31,32)26-13-2-3-14-28-15-17-29(18-16-28)23-6-4-5-22(19-23)27-25(30)21-9-10-21/h4-8,11-12,19,21,26H,2-3,9-10,13-18H2,1H3,(H,27,30)
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| InChIKey |
JONFWGAWADRHQO-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