General Information of the Compound
| Compound ID |
CP0001049
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| Compound Name |
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
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| Structure |
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| Formula |
C17H18N4O2
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| Molecular Weight |
310.357
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| Canonical SMILES |
C(Oc1cccnc1)C1CNCCN1c1nc2ccccc2o1
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| InChI |
InChI=1S/C17H18N4O2/c1-2-6-16-15(5-1)20-17(23-16)21-9-8-19-10-13(21)12-22-14-4-3-7-18-11-14/h1-7,11,13,19H,8-10,12H2
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| InChIKey |
OIZPYIZBDYGMNM-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