General Information of the Compound
| Compound ID |
CP0386420
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| Compound Name |
1-(1-(benzo[b]thiophen-3-yl)-2-(piperazin-1-yl)ethyl)cyclohexanol
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| Structure |
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| Formula |
C20H28N2OS
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| Molecular Weight |
344.524
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| Canonical SMILES |
OC1(CCCCC1)C(CN1CCNCC1)c1csc2ccccc12
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| InChI |
InChI=1S/C20H28N2OS/c23-20(8-4-1-5-9-20)18(14-22-12-10-21-11-13-22)17-15-24-19-7-3-2-6-16(17)19/h2-3,6-7,15,18,21,23H,1,4-5,8-14H2
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| InChIKey |
DRAQRLXEPIYYIE-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