General Information of the Compound
| Compound ID |
CP0424162
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]oxyethyl pyridine-3-carboxylate
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| Structure |
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| Formula |
C30H32N4O7S
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| Molecular Weight |
592.674
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)c1cccnc1
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| InChI |
InChI=1S/C30H32N4O7S/c1-20-32-27(34-42(36,37)23-14-12-22(13-15-23)30(2,3)4)26(41-25-11-7-6-10-24(25)38-5)28(33-20)39-17-18-40-29(35)21-9-8-16-31-19-21/h6-16,19H,17-18H2,1-5H3,(H,32,33,34)
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| InChIKey |
NBEGSXJDADJYHX-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