General Information of the Compound
| Compound ID |
CP0481602
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| Compound Name |
2-[3-(1-benzyl-6-oxopyridazin-3-yl)-5-chloro-7-fluoro-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C22H17ClFN3O3
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| Molecular Weight |
425.847
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| Canonical SMILES |
Cc1c(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(Cl)cc(F)c2n1CC(O)=O
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| InChI |
InChI=1S/C22H17ClFN3O3/c1-13-21(16-9-15(23)10-17(24)22(16)26(13)12-20(29)30)18-7-8-19(28)27(25-18)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,29,30)
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| InChIKey |
LHJBIDCEMZGCSP-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