General Information of the Compound
| Compound ID |
CP0511936
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-propylpyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C32H37N5O7S
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| Molecular Weight |
635.743
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| Canonical SMILES |
CCCc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c(Oc2ccccc2OC)c(OCCOC(=O)Nc2ccccn2)n1
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| InChI |
InChI=1S/C32H37N5O7S/c1-6-11-27-34-29(37-45(39,40)23-17-15-22(16-18-23)32(2,3)4)28(44-25-13-8-7-12-24(25)41-5)30(35-27)42-20-21-43-31(38)36-26-14-9-10-19-33-26/h7-10,12-19H,6,11,20-21H2,1-5H3,(H,33,36,38)(H,34,35,37)
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| InChIKey |
ZYPQETRCACBJNS-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