General Information of the Compound
| Compound ID |
CP0255801
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| Compound Name |
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
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| Structure |
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| Formula |
C23H26N2O3
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| Molecular Weight |
378.472
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| Canonical SMILES |
COc1ccc(cc1C)-c1nc(CN(C)C[C@@H]2Cc3ccccc3O2)c(C)o1
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| InChI |
InChI=1S/C23H26N2O3/c1-15-11-18(9-10-21(15)26-4)23-24-20(16(2)27-23)14-25(3)13-19-12-17-7-5-6-8-22(17)28-19/h5-11,19H,12-14H2,1-4H3/t19-/m0/s1
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| InChIKey |
AJMKQHBCAXBYKM-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