General Information of the Compound
| Compound ID |
CP0574444
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| Compound Name |
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(4-methylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
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| Structure |
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| Formula |
C25H26N6O2S
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| Molecular Weight |
474.59
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C25H26N6O2S/c1-34(32,33)21-10-8-18(9-11-21)13-24-29-30-25(31(24)12-4-5-20-16-26-17-28-20)14-19-15-27-23-7-3-2-6-22(19)23/h2-3,6-11,15-17,27H,4-5,12-14H2,1H3,(H,26,28)
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| InChIKey |
BKVNUDPGBHZKGD-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