General Information of the Compound
| Compound ID |
CP0449616
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]oxyethyl furan-3-carboxylate
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| Structure |
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| Formula |
C29H31N3O8S
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| Molecular Weight |
581.647
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(C)nc1OCCOC(=O)c1ccoc1
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| InChI |
InChI=1S/C29H31N3O8S/c1-19-30-26(32-41(34,35)22-12-10-21(11-13-22)29(2,3)4)25(40-24-9-7-6-8-23(24)36-5)27(31-19)38-16-17-39-28(33)20-14-15-37-18-20/h6-15,18H,16-17H2,1-5H3,(H,30,31,32)
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| InChIKey |
DNVZRTCDKDRZAF-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