General Information of the Compound
| Compound ID |
CP0445076
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| Compound Name |
1-(cyclopropylmethyl)-5-[(1-methylbenzimidazol-2-yl)methoxy]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
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| Structure |
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| Formula |
C26H24N6O2
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| Molecular Weight |
452.518
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| Canonical SMILES |
Cn1c(COc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
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| InChI |
InChI=1S/C26H24N6O2/c1-30-21-10-6-5-9-20(21)28-24(30)17-34-23-16-31(15-18-11-12-18)29-25(26(23)33)22-13-14-27-32(22)19-7-3-2-4-8-19/h2-10,13-14,16,18H,11-12,15,17H2,1H3
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| InChIKey |
DKSCREOWUFPHTD-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