General Information of the Compound
| Compound ID |
CP0029317
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| Compound Name |
2-[[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[1,2]pyrano[2,4-b]pyrimidin-4-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide
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| Structure |
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| Formula |
C27H24N4O5S
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| Molecular Weight |
516.579
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)Nc2cccc(O)c2)n1
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| InChI |
InChI=1S/C27H24N4O5S/c1-15-24-21(17(13-32)12-28-15)11-22-26(36-24)30-25(16-6-8-20(35-2)9-7-16)31-27(22)37-14-23(34)29-18-4-3-5-19(33)10-18/h3-10,12,32-33H,11,13-14H2,1-2H3,(H,29,34)
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| InChIKey |
QICWBURLAZEJLT-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