General Information of the Compound
| Compound ID |
CP0506606
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| Compound Name |
3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C21H18FN3O2S
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| Molecular Weight |
395.459
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| Canonical SMILES |
Cc1cn2nc(c(-c3ccc(F)cc3)c2nc1C)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H18FN3O2S/c1-13-12-25-21(23-14(13)2)19(15-4-8-17(22)9-5-15)20(24-25)16-6-10-18(11-7-16)28(3,26)27/h4-12H,1-3H3
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| InChIKey |
WQJUKRJEMLVPBH-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