General Information of the Compound
| Compound ID |
CP0919464
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| Compound Name |
3-[1-(1-adamantyl)-1H-tetrazol-5-yl]-1-phenylpropan-1-one
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
O=C(CCc1cnnn1C12CC3CC(CC(C3)C1)C2)c1ccccc1
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| InChI |
InChI=1S/C21H25N3O/c25-20(18-4-2-1-3-5-18)7-6-19-14-22-23-24(19)21-11-15-8-16(12-21)10-17(9-15)13-21/h1-5,14-17H,6-13H2
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| InChIKey |
IAOPKSJTEMBPOC-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