General Information of the Compound
| Compound ID |
CP0474298
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| Compound Name |
(2R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(phenyl(pyridin-4-yl)methyl)piperazine
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| Structure |
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| Formula |
C27H33N3O2S
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| Molecular Weight |
463.647
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(c1ccccc1)c1ccncc1
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| InChI |
InChI=1S/C27H33N3O2S/c1-21-20-29(26(22-8-6-5-7-9-22)23-14-16-28-17-15-23)18-19-30(21)33(31,32)25-12-10-24(11-13-25)27(2,3)4/h5-17,21,26H,18-20H2,1-4H3/t21-,26?/m1/s1
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| InChIKey |
LZCZUKPEJQUQJF-OSMGYRLQSA-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