General Information of the Compound
| Compound ID |
CP0194290
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| Compound Name |
(S)-4-(4-fluorophenethyl)-1-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-2-one
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| Structure |
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| Formula |
C28H37FN4O3S
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| Molecular Weight |
528.694
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2ccc3C[C@H](CCc3c2)N2CCN(CCc3ccc(F)cc3)CC2=O)CC1
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| InChI |
InChI=1S/C28H37FN4O3S/c1-37(35,36)32-15-12-31(13-16-32)20-23-2-5-25-19-27(9-6-24(25)18-23)33-17-14-30(21-28(33)34)11-10-22-3-7-26(29)8-4-22/h2-5,7-8,18,27H,6,9-17,19-21H2,1H3/t27-/m0/s1
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| InChIKey |
DPEDLVMPSAGFDL-MHZLTWQESA-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