General Information of the Compound
| Compound ID |
CP0459441
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| Compound Name |
ethyl 3-(2-chloro-6-fluorophenyl)-2-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
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| Structure |
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| Formula |
C24H21ClFN3O4S
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| Molecular Weight |
501.967
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| Canonical SMILES |
CCOC(=O)C(Cc1c(F)cccc1Cl)c1ccnc2c(cnn12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H21ClFN3O4S/c1-3-33-24(30)18(13-17-20(25)5-4-6-21(17)26)22-11-12-27-23-19(14-28-29(22)23)15-7-9-16(10-8-15)34(2,31)32/h4-12,14,18H,3,13H2,1-2H3
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| InChIKey |
JUNXVGUJIMNTOV-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