General Information of the Compound
| Compound ID |
CP0839448
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| Compound Name |
2-((2S,3R)-2-Benzyl-3-methylpyrrolidin-1-yl)-6-morpholinopyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
C[C@@H]1CCN(c2nc(N3CCOCC3)cc(=O)[nH]2)[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C20H26N4O2/c1-15-7-8-24(17(15)13-16-5-3-2-4-6-16)20-21-18(14-19(25)22-20)23-9-11-26-12-10-23/h2-6,14-15,17H,7-13H2,1H3,(H,21,22,25)/t15-,17+/m1/s1
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| InChIKey |
OVFIHIWNXSZYOH-WBVHZDCISA-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