General Information of the Compound
| Compound ID |
CP0489932
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| Compound Name |
4-(4-methoxyphenyl)-3-(phenoxymethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
COc1ccc(cc1)-n1c(COc2ccccc2)nnc1SC(C)C
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| InChI |
InChI=1S/C19H21N3O2S/c1-14(2)25-19-21-20-18(13-24-17-7-5-4-6-8-17)22(19)15-9-11-16(23-3)12-10-15/h4-12,14H,13H2,1-3H3
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| InChIKey |
MMOUSLOXVCWIEE-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