General Information of the Compound
| Compound ID |
CP0547971
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| Compound Name |
2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-1,3-benzoxazole
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCCC1
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| InChI |
InChI=1S/C20H22N2O2/c1-2-7-19-18(6-1)21-20(24-19)16-8-10-17(11-9-16)23-15-5-14-22-12-3-4-13-22/h1-2,6-11H,3-5,12-15H2
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| InChIKey |
IHBQQNCLKRHNAA-UHFFFAOYSA-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