General Information of the Compound
| Compound ID |
CP0373001
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| Compound Name |
4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-2-methyl-pyrimidin-4-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C24H29N3O6S
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| Molecular Weight |
487.578
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCO
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| InChI |
InChI=1S/C24H29N3O6S/c1-16-25-22(27-34(29,30)18-12-10-17(11-13-18)24(2,3)4)21(23(26-16)32-15-14-28)33-20-9-7-6-8-19(20)31-5/h6-13,28H,14-15H2,1-5H3,(H,25,26,27)
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| InChIKey |
QCPAJDRNULDARS-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