General Information of the Compound
| Compound ID |
CP0883309
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| Compound Name |
2-((5-phenyl-2H-tetrazol-2-yl)methyl)-1-(piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C16H19N5O
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| Molecular Weight |
297.362
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| Canonical SMILES |
C=C(Cn1nnc(-c2ccccc2)n1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C16H19N5O/c1-13(16(22)20-10-6-3-7-11-20)12-21-18-15(17-19-21)14-8-4-2-5-9-14/h2,4-5,8-9H,1,3,6-7,10-12H2
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| InChIKey |
PJNKJQXMFCDBAS-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