General Information of the Compound
| Compound ID |
CP0334433
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| Compound Name |
4-[6-(methylsulfonylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C17H19N5O3S
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| Molecular Weight |
373.438
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| Canonical SMILES |
CS(=O)(=O)Cc1cc(nc(n1)-c1cnc2[nH]ccc2c1)N1CCOCC1
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| InChI |
InChI=1S/C17H19N5O3S/c1-26(23,24)11-14-9-15(22-4-6-25-7-5-22)21-17(20-14)13-8-12-2-3-18-16(12)19-10-13/h2-3,8-10H,4-7,11H2,1H3,(H,18,19)
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| InChIKey |
ZQAXZFDFIFNDJG-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