General Information of the Compound
| Compound ID |
CP0449333
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| Compound Name |
2-[5-(2-methoxyphenoxy)-6-[(5-propan-2-ylpyridin-2-yl)sulfonylamino]-2-thiomorpholin-4-ylpyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C31H35N7O7S2
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| Molecular Weight |
681.797
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)N1CCSCC1
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| InChI |
InChI=1S/C31H35N7O7S2/c1-21(2)22-11-12-26(33-20-22)47(40,41)37-28-27(45-24-9-5-4-8-23(24)42-3)29(36-30(35-28)38-14-18-46-19-15-38)43-16-17-44-31(39)34-25-10-6-7-13-32-25/h4-13,20-21H,14-19H2,1-3H3,(H,32,34,39)(H,35,36,37)
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| InChIKey |
FCGUSVKFZTVUQB-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