General Information of the Compound
| Compound ID |
CP0902490
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| Compound Name |
3-(4,4-difluoropiperidin-1-yl)-5-methyl-2-phenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C27H23F2N5O
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| Molecular Weight |
471.511
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| Canonical SMILES |
Cc1[nH]c2c(N3CCC(F)(F)CC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C27H23F2N5O/c1-17-22(20-9-10-21-19(16-20)8-5-13-30-21)26(35)34-25(31-17)24(33-14-11-27(28,29)12-15-33)23(32-34)18-6-3-2-4-7-18/h2-10,13,16,31H,11-12,14-15H2,1H3
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| InChIKey |
FJQACQLNZNIERA-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