General Information of the Compound
| Compound ID |
CP0477357
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| Compound Name |
methyl 4-[4-[[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
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| Structure |
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| Formula |
C23H24N2O4
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| Molecular Weight |
392.455
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1nc(CN(C)C[C@@H]2Cc3ccccc3O2)c(C)o1
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| InChI |
InChI=1S/C23H24N2O4/c1-15-20(14-25(2)13-19-12-18-6-4-5-7-21(18)29-19)24-22(28-15)16-8-10-17(11-9-16)23(26)27-3/h4-11,19H,12-14H2,1-3H3/t19-/m0/s1
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| InChIKey |
RARBVIQKTJHSIQ-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