General Information of the Compound
| Compound ID |
CP0477250
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| Compound Name |
4-[4-(5-ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-(1H-pyrrol-3-yl)phenol
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| Structure |
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| Formula |
C21H21N5O4S
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| Molecular Weight |
439.497
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2ccc(O)c(c2)-c2cc[nH]c2)c1
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| InChI |
InChI=1S/C21H21N5O4S/c1-3-31(28,29)16-5-7-20(30-2)18(11-16)23-21-13-26(25-24-21)15-4-6-19(27)17(10-15)14-8-9-22-12-14/h4-13,22-23,27H,3H2,1-2H3
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| InChIKey |
ZXGGCVUGFURVIA-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