General Information of the Compound
| Compound ID |
CP0451863
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| Compound Name |
1-(cyclopropylmethyl)-5-[4-(1-methylbenzimidazol-2-yl)butoxy]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
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| Structure |
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| Formula |
C29H30N6O2
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| Molecular Weight |
494.599
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| Canonical SMILES |
Cn1c(CCCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
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| InChI |
InChI=1S/C29H30N6O2/c1-33-24-12-6-5-11-23(24)31-27(33)13-7-8-18-37-26-20-34(19-21-14-15-21)32-28(29(26)36)25-16-17-30-35(25)22-9-3-2-4-10-22/h2-6,9-12,16-17,20-21H,7-8,13-15,18-19H2,1H3
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| InChIKey |
IUYPIBZNZFSIIK-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