General Information of the Compound
| Compound ID |
CP0575048
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| Compound Name |
4-[(6-chloro-5-ethoxy-1H-benzimidazol-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)phthalazin-1-one
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| Structure |
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| Formula |
C24H24ClN5O4
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| Molecular Weight |
481.94
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| Canonical SMILES |
CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl
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| InChI |
InChI=1S/C24H24ClN5O4/c1-2-34-21-12-20-19(11-17(21)25)26-22(27-20)13-18-15-5-3-4-6-16(15)24(32)30(28-18)14-23(31)29-7-9-33-10-8-29/h3-6,11-12H,2,7-10,13-14H2,1H3,(H,26,27)
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| InChIKey |
AJNJARPEJYGMNO-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