General Information of the Compound
| Compound ID |
CP0547636
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| Compound Name |
1-(2,5-dimethoxyphenyl)-4-[4-(2-methoxypropan-2-yl)phenyl]sulfonyl-5-methyltriazole
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| Formula |
C21H25N3O5S
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| Molecular Weight |
431.514
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| Canonical SMILES |
COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)OC
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| InChI |
InChI=1S/C21H25N3O5S/c1-14-20(22-23-24(14)18-13-16(27-4)9-12-19(18)28-5)30(25,26)17-10-7-15(8-11-17)21(2,3)29-6/h7-13H,1-6H3
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| InChIKey |
LJPCPXYDKHSNBM-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