General Information of the Compound
| Compound ID |
CP0493650
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| Compound Name |
3-(5-(4-chlorophenyl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
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| Structure |
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| Formula |
C16H13ClN4O
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| Molecular Weight |
312.76
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| Canonical SMILES |
Clc1ccc(cc1)-c1nnnn1CCC(=O)c1ccccc1
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| InChI |
InChI=1S/C16H13ClN4O/c17-14-8-6-13(7-9-14)16-18-19-20-21(16)11-10-15(22)12-4-2-1-3-5-12/h1-9H,10-11H2
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| InChIKey |
IHDTZNFRMLYNSK-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