General Information of the Compound
| Compound ID |
CP0527741
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| Compound Name |
2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-ylpyridin-2-yl)sulfonylamino]-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C31H30N8O7S
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| Molecular Weight |
658.697
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
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| InChI |
InChI=1S/C31H30N8O7S/c1-20(2)21-12-13-25(35-19-21)47(41,42)39-27-26(46-23-10-5-4-9-22(23)43-3)30(38-29(37-27)28-33-15-8-16-34-28)44-17-18-45-31(40)36-24-11-6-7-14-32-24/h4-16,19-20H,17-18H2,1-3H3,(H,32,36,40)(H,37,38,39)
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| InChIKey |
QGSBCBLFBNGHAE-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