General Information of the Compound
| Compound ID |
CP0416299
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| Compound Name |
2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]piperazin-2-yl]ethanol
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| Structure |
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| Formula |
C25H36N2O2
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| Molecular Weight |
396.575
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| Canonical SMILES |
COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1
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| InChI |
InChI=1S/C25H36N2O2/c1-29-25-10-9-22-15-21(7-8-23(22)16-25)18-27-13-12-26(19-24(27)11-14-28)17-20-5-3-2-4-6-20/h7-10,15-16,20,24,28H,2-6,11-14,17-19H2,1H3/t24-/m0/s1
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| InChIKey |
BWAGGKXKIPXTBJ-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