General Information of the Compound
| Compound ID |
CP0387104
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| Compound Name |
3-Benzyl-1-(3-fluorophenyl)-6-methyl-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C28H20FN5O
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| Molecular Weight |
461.5
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| Canonical SMILES |
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccc(F)c2)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C28H20FN5O/c1-18-30-27-25(24-16-23(31-34(18)24)20-11-6-3-7-12-20)26(21-13-8-14-22(29)15-21)32-33(28(27)35)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3
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| InChIKey |
MKVDHMOSPZSDBF-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