General Information of the Compound
| Compound ID |
CP0247111
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| Compound Name |
7-Phenyl-1-(2H-tetrazol-5-yl)-heptan-1-one
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| Synonyms |
7-Phenyl-1-(2H-tetrazol-5-yl)-heptan-1-one
BDBM50274982
CHEMBL456450
SCHEMBL2161929
ZINC40380109
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| Structure |
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| Formula |
C14H18N4O
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| Molecular Weight |
258.325
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nnn[nH]1
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| InChI |
InChI=1S/C14H18N4O/c19-13(14-15-17-18-16-14)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,15,16,17,18)
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| InChIKey |
JVOYAZCLPXVADL-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
Clinical Information about the Compound
Drug 1 ( 7-Phenyl-1-(2H-tetrazol-5-yl)-heptan-1-one )
| Drug Name | 7-Phenyl-1-(2H-tetrazol-5-yl)-heptan-1-one | ||
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