General Information of the Compound
| Compound ID |
CP0486064
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| Compound Name |
2-[4-(3-phenoxypropyl)triazol-1-yl]-1-phenylethanone
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| Structure |
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
O=C(Cn1cc(CCCOc2ccccc2)nn1)c1ccccc1
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| InChI |
InChI=1S/C19H19N3O2/c23-19(16-8-3-1-4-9-16)15-22-14-17(20-21-22)10-7-13-24-18-11-5-2-6-12-18/h1-6,8-9,11-12,14H,7,10,13,15H2
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| InChIKey |
BPNZNULGOGDUTE-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