General Information of the Compound
| Compound ID |
CP0501860
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| Compound Name |
1-phenyl-3-(1-(tetrahydro-2H-pyran-4-yl)-1H-tetrazol-5-yl)propan-1-one
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| Structure |
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| Formula |
C16H19N3O2
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| Molecular Weight |
285.347
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| Canonical SMILES |
O=C(CCc1cnnn1C1CCOCC1)c1ccccc1
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| InChI |
InChI=1S/C16H19N3O2/c20-16(13-4-2-1-3-5-13)7-6-15-12-17-18-19(15)14-8-10-21-11-9-14/h1-5,12,14H,6-11H2
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| InChIKey |
DPLBXZCMHYXADN-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