General Information of the Compound
| Compound ID |
CP0425785
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| Compound Name |
6-Ethyl-9-phenyl-3-(1-phenylethyl)-1-methylpyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
CCc1nc2c(c(C)nn(C(C)c3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C25H23N5O/c1-4-22-26-24-23(21-15-20(28-30(21)22)19-13-9-6-10-14-19)16(2)27-29(25(24)31)17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3
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| InChIKey |
IXWIEUSCMKPOBF-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