General Information of the Compound
| Compound ID |
CP0461956
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| Compound Name |
tert-butyl 4-[4-[(4-methylsulfonylphenyl)methoxy]phenyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H30N2O5S
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| Molecular Weight |
446.569
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(OCc2ccc(cc2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C23H30N2O5S/c1-23(2,3)30-22(26)25-15-13-24(14-16-25)19-7-9-20(10-8-19)29-17-18-5-11-21(12-6-18)31(4,27)28/h5-12H,13-17H2,1-4H3
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| InChIKey |
XEVQTJQCJMBCQP-UHFFFAOYSA-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