General Information of the Compound
| Compound ID |
CP0526784
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| Compound Name |
(R)-4-((4-(4-tert-butylphenylsulfonyl)-3-methylpiperazin-1-yl)methyl)quinoline
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| Structure |
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| Formula |
C25H31N3O2S
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| Molecular Weight |
437.609
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccnc3ccccc23)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C25H31N3O2S/c1-19-17-27(18-20-13-14-26-24-8-6-5-7-23(20)24)15-16-28(19)31(29,30)22-11-9-21(10-12-22)25(2,3)4/h5-14,19H,15-18H2,1-4H3/t19-/m1/s1
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| InChIKey |
VEOGALWAYZUFRM-LJQANCHMSA-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