General Information of the Compound
| Compound ID |
CP0501843
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| Compound Name |
(2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(1-(pyridin-4-yl)ethyl)piperazine
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| Structure |
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| Formula |
C22H31N3O2S
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| Molecular Weight |
401.576
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| Canonical SMILES |
CC(N1CCN([C@H](C)C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccncc1
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| InChI |
InChI=1S/C22H31N3O2S/c1-17-16-24(18(2)19-10-12-23-13-11-19)14-15-25(17)28(26,27)21-8-6-20(7-9-21)22(3,4)5/h6-13,17-18H,14-16H2,1-5H3/t17-,18?/m1/s1
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| InChIKey |
DITLQKIQKDAIBV-QNSVNVJESA-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