General Information of the Compound
| Compound ID |
CP0502304
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| Compound Name |
3-(1-(2-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylpropan-1-one
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
COc1ccccc1-n1nncc1CCC(=O)c1ccccc1
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| InChI |
InChI=1S/C18H17N3O2/c1-23-18-10-6-5-9-16(18)21-15(13-19-20-21)11-12-17(22)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
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| InChIKey |
AGQUDCRTNWWCQM-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