General Information of the Compound
| Compound ID |
CP0475612
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| Compound Name |
3-[[5-(1H-indol-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
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| Structure |
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| Formula |
C25H19N7S2
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| Molecular Weight |
481.61
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| Canonical SMILES |
S=c1[nH]nc(CSc2nnc(-c3cc4ccccc4[nH]3)n2-c2ccccc2)n1-c1ccccc1
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| InChI |
InChI=1S/C25H19N7S2/c33-24-29-27-22(31(24)18-10-3-1-4-11-18)16-34-25-30-28-23(32(25)19-12-5-2-6-13-19)21-15-17-9-7-8-14-20(17)26-21/h1-15,26H,16H2,(H,29,33)
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| InChIKey |
WPZYVQWMJJHRGS-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