General Information of the Compound
| Compound ID |
CP0467420
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| Compound Name |
1-phenyl-3-(1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-tetrazol-5-yl)propan-1-one
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| Structure |
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| Formula |
C21H21N3O
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| Molecular Weight |
331.419
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| Canonical SMILES |
O=C(CCc1cnnn1C1CCCc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C21H21N3O/c25-21(17-8-2-1-3-9-17)14-13-18-15-22-23-24(18)20-12-6-10-16-7-4-5-11-19(16)20/h1-5,7-9,11,15,20H,6,10,12-14H2
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| InChIKey |
KBQBSJYSLFWSEW-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