General Information of the Compound
| Compound ID |
CP0368226
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| Compound Name |
tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]pyridin-3-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C22H29N3O5S
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| Molecular Weight |
447.557
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(OCc2ccc(cc2)S(C)(=O)=O)nc1
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| InChI |
InChI=1S/C22H29N3O5S/c1-22(2,3)30-21(26)25-13-11-24(12-14-25)18-7-10-20(23-15-18)29-16-17-5-8-19(9-6-17)31(4,27)28/h5-10,15H,11-14,16H2,1-4H3
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| InChIKey |
CBNFLBDZRCZIJJ-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