General Information of the Compound
| Compound ID |
CP0391986
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| Compound Name |
2-[3-[(1-benzyl-6-oxo-4,5-dihydropyridazin-3-yl)methyl]-5-fluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C23H22FN3O3
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| Molecular Weight |
407.445
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| Canonical SMILES |
Cc1c(CC2=NN(Cc3ccccc3)C(=O)CC2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C23H22FN3O3/c1-15-19(20-11-17(24)7-9-21(20)26(15)14-23(29)30)12-18-8-10-22(28)27(25-18)13-16-5-3-2-4-6-16/h2-7,9,11H,8,10,12-14H2,1H3,(H,29,30)
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| InChIKey |
RAIPCZDMNHSRRS-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