General Information of the Compound
| Compound ID |
CP0496603
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| Compound Name |
3-Benzyl-1-(4-fluorophenyl)-9-phenylpyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C27H18FN5O
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| Molecular Weight |
447.473
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| Canonical SMILES |
Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1
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| InChI |
InChI=1S/C27H18FN5O/c28-21-13-11-20(12-14-21)25-24-23-15-22(19-9-5-2-6-10-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-7-3-1-4-8-18/h1-15,17H,16H2
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| InChIKey |
LISHZCBKDSKWCG-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