General Information of the Compound
| Compound ID |
CP0498557
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| Compound Name |
2-[3-(1-benzyl-6-oxopyridazin-3-yl)-5-methoxy-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H21N3O4
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| Molecular Weight |
403.438
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| Canonical SMILES |
COc1ccc2n(CC(O)=O)c(C)c(-c3ccc(=O)n(Cc4ccccc4)n3)c2c1
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| InChI |
InChI=1S/C23H21N3O4/c1-15-23(18-12-17(30-2)8-10-20(18)25(15)14-22(28)29)19-9-11-21(27)26(24-19)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,28,29)
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| InChIKey |
CHRWLCNTIYPIRO-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