General Information of the Compound
| Compound ID |
CP0532007
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| Compound Name |
2-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-prop-2-enylindole
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| Structure |
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| Formula |
C22H20N4S
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| Molecular Weight |
372.497
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| Canonical SMILES |
C=CCSc1nnc(-c2cc3ccccc3n2CC=C)n1-c1ccccc1
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| InChI |
InChI=1S/C22H20N4S/c1-3-14-25-19-13-9-8-10-17(19)16-20(25)21-23-24-22(27-15-4-2)26(21)18-11-6-5-7-12-18/h3-13,16H,1-2,14-15H2
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| InChIKey |
AHQWGNLPDNWNFS-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