General Information of the Compound
| Compound ID |
CP0447589
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| Compound Name |
N-cyclohexyl-4-[[6-(4-propylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H41N5O4S
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| Molecular Weight |
507.701
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)NC2CCCCC2)cn1
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| InChI |
InChI=1S/C25H41N5O4S/c1-2-18-35(32,33)30-16-14-28(15-17-30)24-9-8-23(19-26-24)34-20-21-10-12-29(13-11-21)25(31)27-22-6-4-3-5-7-22/h8-9,19,21-22H,2-7,10-18,20H2,1H3,(H,27,31)
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| InChIKey |
UWZMWQPVUDFMAB-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