General Information of the Compound
| Compound ID |
CP0499470
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| Compound Name |
7-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-indole
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| Structure |
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| Formula |
C24H20N4
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| Molecular Weight |
364.452
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C24H20N4/c1-2-22-26-27-24(28(22)21-10-6-9-19-15-16-25-23(19)21)20-13-11-18(12-14-20)17-7-4-3-5-8-17/h3-16,25H,2H2,1H3
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| InChIKey |
JABAGHPAKORHJJ-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