General Information of the Compound
| Compound ID |
CP0435959
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| Compound Name |
4-[2-(1-methylindol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
Cn1ccc2cc(ccc12)-c1nc(CS(C)(=O)=O)cc(n1)N1CCOCC1
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| InChI |
InChI=1S/C19H22N4O3S/c1-22-6-5-14-11-15(3-4-17(14)22)19-20-16(13-27(2,24)25)12-18(21-19)23-7-9-26-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3
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| InChIKey |
ZTTVDKACTJBDHD-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