General Information of the Compound
| Compound ID |
CP0901579
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| Compound Name |
5-((5-hydroxy-1,3,4-thiadiazol-2-yl)amino)-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C27H20N6O3S
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| Molecular Weight |
508.563
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| Canonical SMILES |
COc1ccc(-c2c(Nc3nnc(O)s3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C27H20N6O3S/c1-36-19-14-12-17(13-15-19)21-23(29-26-30-31-27(35)37-26)28-24-20(16-8-4-2-5-9-16)22(32-33(24)25(21)34)18-10-6-3-7-11-18/h2-15,28H,1H3,(H,29,30)(H,31,35)
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| InChIKey |
HBNKONUNXMGMIO-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