General Information of the Compound
| Compound ID |
CP0416298
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| Compound Name |
2-[(2S)-4-(cyclohexylmethyl)-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
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| Structure |
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| Formula |
C26H36N2O
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| Molecular Weight |
392.587
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| Canonical SMILES |
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H36N2O/c29-18-15-26-21-27(19-22-7-3-1-4-8-22)16-17-28(26)20-23-11-13-25(14-12-23)24-9-5-2-6-10-24/h2,5-6,9-14,22,26,29H,1,3-4,7-8,15-21H2/t26-/m0/s1
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| InChIKey |
HYJVYRBGCPGOSX-SANMLTNESA-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