General Information of the Compound
| Compound ID |
CP0386258
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| Compound Name |
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(pyridin-4-ylmethyl)piperazine
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| Structure |
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| Formula |
C21H29N3O2S
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| Molecular Weight |
387.549
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C21H29N3O2S/c1-17-15-23(16-18-9-11-22-12-10-18)13-14-24(17)27(25,26)20-7-5-19(6-8-20)21(2,3)4/h5-12,17H,13-16H2,1-4H3/t17-/m1/s1
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| InChIKey |
WLDFBXGCKXAERK-QGZVFWFLSA-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