General Information of the Compound
| Compound ID |
CP0577931
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| Compound Name |
2-[4-[(6-chloro-5-methoxy-1H-benzimidazol-2-yl)methyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H15ClN4O4
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| Molecular Weight |
398.806
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| Canonical SMILES |
COc1cc2[nH]c(Cc3nn(CC(O)=O)c(=O)c4ccccc34)nc2cc1Cl
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| InChI |
InChI=1S/C19H15ClN4O4/c1-28-16-7-15-14(6-12(16)20)21-17(22-15)8-13-10-4-2-3-5-11(10)19(27)24(23-13)9-18(25)26/h2-7H,8-9H2,1H3,(H,21,22)(H,25,26)
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| InChIKey |
FZQYYHWHKPOOPM-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