General Information of the Compound
| Compound ID |
CP0392578
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| Compound Name |
(2S)-2-[[4-(2,3-dimethylphenyl)phenoxy]methyl]-6-methyl-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
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| Structure |
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| Formula |
C22H22N2O3
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| Molecular Weight |
362.429
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| Canonical SMILES |
Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3cc(C)c(=O)nc3O2)cc1
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| InChI |
InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-11-15(2)21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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| InChIKey |
AJRROKWDGJEDCW-IBGZPJMESA-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