General Information of the Compound
| Compound ID |
CP0558914
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| Compound Name |
ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-(4-methylsulfonylphenyl)propanoate
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| Structure |
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| Formula |
C25H24ClN3O4S
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| Molecular Weight |
498.004
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| Canonical SMILES |
CCOC(=O)C(C)(Cc1ccc(cc1)S(C)(=O)=O)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H24ClN3O4S/c1-4-33-24(30)25(2,15-17-5-11-20(12-6-17)34(3,31)32)22-13-14-27-23-21(16-28-29(22)23)18-7-9-19(26)10-8-18/h5-14,16H,4,15H2,1-3H3
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| InChIKey |
VDNHQORIQOKFQK-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