General Information of the Compound
| Compound ID |
CP0539562
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| Compound Name |
2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol
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| Structure |
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| Formula |
C20H32N2O
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| Molecular Weight |
316.489
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| Canonical SMILES |
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1
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| InChI |
InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1
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| InChIKey |
ZLMIRDVHICHCSB-FQEVSTJZSA-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