General Information of the Compound
| Compound ID |
CP0445350
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| Compound Name |
2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol
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| Structure |
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| Formula |
C24H34N2O
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| Molecular Weight |
366.549
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| Canonical SMILES |
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1
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| InChI |
InChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1
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| InChIKey |
PMDDJJIHWAUWIM-DEOSSOPVSA-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