General Information of the Compound
| Compound ID |
CP0915914
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| Compound Name |
5-((3-methoxy-1,2,4-thiadiazol-5-yl)amino)-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C28H22N6O3S
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| Molecular Weight |
522.59
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| Canonical SMILES |
COc1ccc(-c2c(Nc3nc(OC)ns3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C28H22N6O3S/c1-36-20-15-13-18(14-16-20)22-24(30-28-31-27(37-2)33-38-28)29-25-21(17-9-5-3-6-10-17)23(32-34(25)26(22)35)19-11-7-4-8-12-19/h3-16,29H,1-2H3,(H,30,31,33)
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| InChIKey |
BUDMQJLQTBWYDS-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