General Information of the Compound
| Compound ID |
CP0475316
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| Compound Name |
3-(5-(benzo[d][1,3]dioxol-5-yl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
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| Structure |
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| Formula |
C17H14N4O3
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| Molecular Weight |
322.324
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| Canonical SMILES |
O=C(CCn1nnnc1-c1ccc2OCOc2c1)c1ccccc1
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| InChI |
InChI=1S/C17H14N4O3/c22-14(12-4-2-1-3-5-12)8-9-21-17(18-19-20-21)13-6-7-15-16(10-13)24-11-23-15/h1-7,10H,8-9,11H2
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| InChIKey |
XZDUJYUYLDTLED-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