General Information of the Compound
| Compound ID |
CP0500836
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| Compound Name |
3-cyclopentylsulfanyl-5-(furan-2-yl)-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C17H17N3OS
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| Molecular Weight |
311.41
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| Canonical SMILES |
C1CCC(C1)Sc1nnc(-c2ccco2)n1-c1ccccc1
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| InChI |
InChI=1S/C17H17N3OS/c1-2-7-13(8-3-1)20-16(15-11-6-12-21-15)18-19-17(20)22-14-9-4-5-10-14/h1-3,6-8,11-12,14H,4-5,9-10H2
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| InChIKey |
SSSZFUBRQPDMTD-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