General Information of the Compound
| Compound ID |
CP0467863
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| Compound Name |
ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-phenylacetate
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| Structure |
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| Formula |
C22H18ClN3O2
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| Molecular Weight |
391.858
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| Canonical SMILES |
CCOC(=O)C(c1ccccc1)c1ccnc2c(cnn12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H18ClN3O2/c1-2-28-22(27)20(16-6-4-3-5-7-16)19-12-13-24-21-18(14-25-26(19)21)15-8-10-17(23)11-9-15/h3-14,20H,2H2,1H3
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| InChIKey |
AYNDWTZJYBGAPE-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