General Information of the Compound
| Compound ID |
CP0558913
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| Compound Name |
ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-(1,3-thiazol-4-yl)propanoate
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| Structure |
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| Formula |
C21H19ClN4O2S
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| Molecular Weight |
426.929
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| Canonical SMILES |
CCOC(=O)C(C)(Cc1cscn1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H19ClN4O2S/c1-3-28-20(27)21(2,10-16-12-29-13-24-16)18-8-9-23-19-17(11-25-26(18)19)14-4-6-15(22)7-5-14/h4-9,11-13H,3,10H2,1-2H3
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| InChIKey |
IVJRZRSBXQWURK-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