General Information of the Compound
| Compound ID |
CP0524102
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| Compound Name |
8-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]isoquinoline
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| Structure |
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| Formula |
C25H20N4
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| Molecular Weight |
376.463
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2ccncc12
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| InChI |
InChI=1S/C25H20N4/c1-2-24-27-28-25(21-13-11-19(12-14-21)18-7-4-3-5-8-18)29(24)23-10-6-9-20-15-16-26-17-22(20)23/h3-17H,2H2,1H3
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| InChIKey |
LDUDYGIBRRIZAY-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