General Information of the Compound
| Compound ID |
CP0515433
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| Compound Name |
3-cyclobutylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C19H19N3OS
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| Molecular Weight |
337.448
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| Canonical SMILES |
C(Oc1ccccc1)c1nnc(SC2CCC2)n1-c1ccccc1
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| InChI |
InChI=1S/C19H19N3OS/c1-3-8-15(9-4-1)22-18(14-23-16-10-5-2-6-11-16)20-21-19(22)24-17-12-7-13-17/h1-6,8-11,17H,7,12-14H2
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| InChIKey |
XIFGJTSEVUPRCB-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