General Information of the Compound
| Compound ID |
CP0407909
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| Compound Name |
N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H40N4O3S
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| Molecular Weight |
476.687
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| Canonical SMILES |
O=C(Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1)C1CC1
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| InChI |
InChI=1S/C25H40N4O3S/c30-25(22-11-12-22)27-23-9-6-10-24(19-23)29-17-15-28(16-18-29)14-5-4-13-26-33(31,32)20-21-7-2-1-3-8-21/h6,9-10,19,21-22,26H,1-5,7-8,11-18,20H2,(H,27,30)
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| InChIKey |
AKDDQOOXABRYDQ-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2