General Information of the Compound
| Compound ID |
CP0381472
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| Compound Name |
2-[3-(1-benzyl-6-oxopyridazin-3-yl)-7-bromo-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C22H18BrN3O3
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| Molecular Weight |
452.308
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| Canonical SMILES |
Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cccc(Br)c2n1CC(O)=O
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| InChI |
InChI=1S/C22H18BrN3O3/c1-14-21(16-8-5-9-17(23)22(16)25(14)13-20(28)29)18-10-11-19(27)26(24-18)12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,28,29)
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| InChIKey |
BELIZMRCKZLMLI-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