General Information of the Compound
| Compound ID |
CP0532868
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| Compound Name |
2-[4-[2-[3-chloro-4-(trifluoromethoxy)anilino]-2-oxoethyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H13ClF3N3O5
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| Molecular Weight |
455.776
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| Canonical SMILES |
OC(=O)Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O
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| InChI |
InChI=1S/C19H13ClF3N3O5/c20-13-7-10(5-6-15(13)31-19(21,22)23)24-16(27)8-14-11-3-1-2-4-12(11)18(30)26(25-14)9-17(28)29/h1-7H,8-9H2,(H,24,27)(H,28,29)
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| InChIKey |
QOWIQSZQZHLCTM-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