General Information of the Compound
| Compound ID |
CP0381474
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| Compound Name |
2-[3-(1-benzyl-6-oxopyridazin-3-yl)-2-methyl-5-methylsulfonylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H21N3O5S
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| Molecular Weight |
451.504
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| Canonical SMILES |
Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(ccc2n1CC(O)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C23H21N3O5S/c1-15-23(19-9-11-21(27)26(24-19)13-16-6-4-3-5-7-16)18-12-17(32(2,30)31)8-10-20(18)25(15)14-22(28)29/h3-12H,13-14H2,1-2H3,(H,28,29)
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| InChIKey |
LFXRFCDKEOYNQO-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