General Information of the Compound
| Compound ID |
CP0483557
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| Compound Name |
1-(2-Methyl-2H-tetrazol-5-yl)-7-phenylheptan-1-one
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| Structure |
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| Formula |
C15H20N4O
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| Molecular Weight |
272.352
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| Canonical SMILES |
Cn1nnc(n1)C(=O)CCCCCCc1ccccc1
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| InChI |
InChI=1S/C15H20N4O/c1-19-17-15(16-18-19)14(20)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,2-3,5,8-9,12H2,1H3
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| InChIKey |
LCKMSHQWKSZYBW-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