General Information of the Compound
| Compound ID |
CP0473868
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| Compound Name |
ethyl 2-[3-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoate
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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)(Cc1ccccc1)c1ccnc2c(Cc3ccc(Cl)cc3)cnn12
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| InChI |
InChI=1S/C25H24ClN3O2/c1-3-31-24(30)25(2,16-19-7-5-4-6-8-19)22-13-14-27-23-20(17-28-29(22)23)15-18-9-11-21(26)12-10-18/h4-14,17H,3,15-16H2,1-2H3
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| InChIKey |
DWYZJJPJIJRMGT-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