General Information of the Compound
| Compound ID |
CP0495250
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| Compound Name |
2-[4-[[6-chloro-5-(2,2-difluoroethoxy)-1H-benzimidazol-2-yl]methyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H15ClF2N4O4
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| Molecular Weight |
448.813
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| Canonical SMILES |
OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O
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| InChI |
InChI=1S/C20H15ClF2N4O4/c21-12-5-14-15(6-16(12)31-9-17(22)23)25-18(24-14)7-13-10-3-1-2-4-11(10)20(30)27(26-13)8-19(28)29/h1-6,17H,7-9H2,(H,24,25)(H,28,29)
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| InChIKey |
TWTNNHPLJUYSNI-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