General Information of the Compound
| Compound ID |
CP0249787
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| Compound Name |
tert-butyl 4-[4-[methyl(prop-2-enoyl)amino]phenyl]sulfonylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C19H27N3O5S
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| Molecular Weight |
409.508
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| Canonical SMILES |
CN(C(=O)C=C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C19H27N3O5S/c1-6-17(23)20(5)15-7-9-16(10-8-15)28(25,26)22-13-11-21(12-14-22)18(24)27-19(2,3)4/h6-10H,1,11-14H2,2-5H3
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| InChIKey |
LDLFWVCCKXKFSD-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