General Information of the Compound
| Compound ID |
CP0460866
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]oxyethyl 2-(methylamino)acetate
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| Structure |
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| Formula |
C27H34N4O7S
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| Molecular Weight |
558.657
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| Canonical SMILES |
CNCC(=O)OCCOc1nc(C)nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC
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| InChI |
InChI=1S/C27H34N4O7S/c1-18-29-25(31-39(33,34)20-13-11-19(12-14-20)27(2,3)4)24(38-22-10-8-7-9-21(22)35-6)26(30-18)37-16-15-36-23(32)17-28-5/h7-14,28H,15-17H2,1-6H3,(H,29,30,31)
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| InChIKey |
VAYHZKZVSIYORZ-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