General Information of the Compound
| Compound ID |
CP0493461
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| Compound Name |
3-Benzyl-1,9-diphenyl-6-n-propylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C30H25N5O
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| Molecular Weight |
471.564
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| Canonical SMILES |
CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C30H25N5O/c1-2-12-26-31-29-27(25-19-24(32-35(25)26)22-15-8-4-9-16-22)28(23-17-10-5-11-18-23)33-34(30(29)36)20-21-13-6-3-7-14-21/h3-11,13-19H,2,12,20H2,1H3
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| InChIKey |
WIBHTXPHISHFEQ-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