General Information of the Compound
| Compound ID |
CP0489937
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| Compound Name |
3-(cyclobutylmethylsulfanyl)-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C20H21N3OS
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| Molecular Weight |
351.475
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(SCC2CCC2)n1-c1ccccc1
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| InChI |
InChI=1S/C20H21N3OS/c1-3-10-17(11-4-1)23-19(14-24-18-12-5-2-6-13-18)21-22-20(23)25-15-16-8-7-9-16/h1-6,10-13,16H,7-9,14-15H2
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| InChIKey |
VGVLSBDVQVGMHO-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