General Information of the Compound
| Compound ID |
CP0566617
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| Compound Name |
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
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| Structure |
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| Formula |
C20H22N2O2S
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| Molecular Weight |
354.475
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| Canonical SMILES |
CN(C[C@@H]1Cc2ccccc2O1)Cc1nc(oc1C)-c1ccc(C)s1
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| InChI |
InChI=1S/C20H22N2O2S/c1-13-8-9-19(25-13)20-21-17(14(2)23-20)12-22(3)11-16-10-15-6-4-5-7-18(15)24-16/h4-9,16H,10-12H2,1-3H3/t16-/m0/s1
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| InChIKey |
ZABZRGLTVKHOFH-INIZCTEOSA-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