General Information of the Compound
| Compound ID |
CP0467490
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| Compound Name |
4-[[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]methyl]pyridine
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| Structure |
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| Formula |
C22H20N4
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| Molecular Weight |
340.43
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1Cc1ccncc1
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| InChI |
InChI=1S/C22H20N4/c1-2-21-24-25-22(26(21)16-17-12-14-23-15-13-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
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| InChIKey |
KVDXMCOJQOGTMB-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