General Information of the Compound
| Compound ID |
CP0557757
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| Compound Name |
2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol
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| Structure |
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| Formula |
C18H30N2O
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| Molecular Weight |
290.451
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| Canonical SMILES |
CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1
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| InChI |
InChI=1S/C18H30N2O/c1-16(2)8-10-19-11-12-20(18(15-19)9-13-21)14-17-6-4-3-5-7-17/h3-7,16,18,21H,8-15H2,1-2H3/t18-/m0/s1
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| InChIKey |
ZWCXXCNREDTRPZ-SFHVURJKSA-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