General Information of the Compound
| Compound ID |
CP0395459
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| Compound Name |
ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-(3-methylphenyl)propanoate
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| Structure |
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| Formula |
C25H24ClN3O2
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| Molecular Weight |
433.939
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| Canonical SMILES |
CCOC(=O)C(C)(Cc1cccc(C)c1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H24ClN3O2/c1-4-31-24(30)25(3,15-18-7-5-6-17(2)14-18)22-12-13-27-23-21(16-28-29(22)23)19-8-10-20(26)11-9-19/h5-14,16H,4,15H2,1-3H3
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| InChIKey |
FIERNNYTPMWRMS-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