General Information of the Compound
| Compound ID |
CP0469049
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| Compound Name |
1-(1-(5-chlorothiophen-3-yl)-2-(piperazin-1-yl)ethyl)cyclohexanol
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| Structure |
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| Formula |
C16H25ClN2OS
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| Molecular Weight |
328.909
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| Canonical SMILES |
OC1(CCCCC1)C(CN1CCNCC1)c1csc(Cl)c1
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| InChI |
InChI=1S/C16H25ClN2OS/c17-15-10-13(12-21-15)14(11-19-8-6-18-7-9-19)16(20)4-2-1-3-5-16/h10,12,14,18,20H,1-9,11H2
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| InChIKey |
SRKHUCZOFIQCSE-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