General Information of the Compound
| Compound ID |
CP0904982
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| Compound Name |
3-((5-2-(1H-Imidazol-4-yl)ethyl-4-benzyl-4H-1,2,4-triazol-3-yl)methyl)-1H-indole
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| Structure |
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| Formula |
C23H22N6
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| Molecular Weight |
382.471
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| Canonical SMILES |
c1ccc(Cn2c(CCc3c[nH]cn3)nnc2Cc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C23H22N6/c1-2-6-17(7-3-1)15-29-22(11-10-19-14-24-16-26-19)27-28-23(29)12-18-13-25-21-9-5-4-8-20(18)21/h1-9,13-14,16,25H,10-12,15H2,(H,24,26)
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| InChIKey |
YDWPFEGWZFUEEB-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