General Information of the Compound
| Compound ID |
CP0500837
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| Compound Name |
3-(1-benzofuran-2-yl)-5-cyclopentylsulfanyl-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C21H19N3OS
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| Molecular Weight |
361.47
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| Canonical SMILES |
C1CCC(C1)Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1
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| InChI |
InChI=1S/C21H19N3OS/c1-2-9-16(10-3-1)24-20(19-14-15-8-4-7-13-18(15)25-19)22-23-21(24)26-17-11-5-6-12-17/h1-4,7-10,13-14,17H,5-6,11-12H2
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| InChIKey |
VYBQVXWUGAVKSG-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