General Information of the Compound
| Compound ID |
CP0954114
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| Compound Name |
3-(2-(5-(2-(1H-Imidazol-4-yl)ethyl)-4-benzyl-4H-1,2,4-triazol-3-yl)ethyl)-1H-indole
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| Structure |
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| Formula |
C24H24N6
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| Molecular Weight |
396.498
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| Canonical SMILES |
c1ccc(Cn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C24H24N6/c1-2-6-18(7-3-1)16-30-23(28-29-24(30)13-11-20-15-25-17-27-20)12-10-19-14-26-22-9-5-4-8-21(19)22/h1-9,14-15,17,26H,10-13,16H2,(H,25,27)
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| InChIKey |
CEWYQXOSZCKHKH-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