General Information of the Compound
| Compound ID |
CP0535649
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| Compound Name |
2-[3-[(1-benzyl-6-oxopyridazin-3-yl)methyl]-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H21N3O3
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| Molecular Weight |
387.439
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| Canonical SMILES |
Cc1c(Cc2ccc(=O)n(Cc3ccccc3)n2)c2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C23H21N3O3/c1-16-20(19-9-5-6-10-21(19)25(16)15-23(28)29)13-18-11-12-22(27)26(24-18)14-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,28,29)
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| InChIKey |
IISWESNNRCUKMR-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