General Information of the Compound
| Compound ID |
CP0471240
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| Compound Name |
3-[(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methoxy]pyridine
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| Structure |
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| Formula |
C17H18N4OS
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| Molecular Weight |
326.425
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| Canonical SMILES |
CC(C)Sc1nnc(COc2cccnc2)n1-c1ccccc1
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| InChI |
InChI=1S/C17H18N4OS/c1-13(2)23-17-20-19-16(12-22-15-9-6-10-18-11-15)21(17)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3
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| InChIKey |
CNWZXNVUMPEQMV-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