General Information of the Compound
| Compound ID |
CP0505799
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| Compound Name |
1-phenyl-3-(1-m-tolyl-1H-tetrazol-5-yl)propan-1-one
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| Structure |
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| Formula |
C18H17N3O
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| Molecular Weight |
291.354
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| Canonical SMILES |
Cc1cccc(c1)-n1nncc1CCC(=O)c1ccccc1
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| InChI |
InChI=1S/C18H17N3O/c1-14-6-5-9-16(12-14)21-17(13-19-20-21)10-11-18(22)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3
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| InChIKey |
JRDWEGCKDYWZNS-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