General Information of the Compound
| Compound ID |
CP0969156
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| Compound Name |
3-(3,3-difluoropyrrolidin-1-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C24H22F2N4O2
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| Molecular Weight |
436.462
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| Canonical SMILES |
COc1ccc(-c2c(C)[nH]c3c(N4CCC(F)(F)C4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C24H22F2N4O2/c1-15-19(16-8-10-18(32-2)11-9-16)23(31)30-22(27-15)21(29-13-12-24(25,26)14-29)20(28-30)17-6-4-3-5-7-17/h3-11,27H,12-14H2,1-2H3
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| InChIKey |
KHOUYJXZKHLWIN-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