General Information of the Compound
| Compound ID |
CP0445995
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| Compound Name |
(S)-4-(2-cyclohexylethyl)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-2-one
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| Structure |
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| Formula |
C27H43N3O
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| Molecular Weight |
425.661
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| Canonical SMILES |
CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCC2CCCCC2)CC1=O
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| InChI |
InChI=1S/C27H43N3O/c1-3-28(4-2)20-23-10-11-25-19-26(13-12-24(25)18-23)30-17-16-29(21-27(30)31)15-14-22-8-6-5-7-9-22/h10-11,18,22,26H,3-9,12-17,19-21H2,1-2H3/t26-/m0/s1
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| InChIKey |
GMYLXTMMWJHQOZ-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