General Information of the Compound
| Compound ID |
CP0555284
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| Compound Name |
2-[4-[[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H12ClF3N4O4
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| Molecular Weight |
452.776
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| Canonical SMILES |
OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2ccccc2c1=O
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| InChI |
InChI=1S/C19H12ClF3N4O4/c20-11-5-13-14(6-15(11)31-19(21,22)23)25-16(24-13)7-12-9-3-1-2-4-10(9)18(30)27(26-12)8-17(28)29/h1-6H,7-8H2,(H,24,25)(H,28,29)
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| InChIKey |
BBFYUERUHDXHMZ-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