General Information of the Compound
| Compound ID |
CP0966392
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| Compound Name |
2-(4-(3-(3,4-difluorophenyl)azetidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C21H19F2N5O2
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| Molecular Weight |
411.412
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| Canonical SMILES |
Cc1c(C(=O)N2CC(c3ccc(F)c(F)c3)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H19F2N5O2/c1-11-15(8-24-28(11)21-25-18-4-2-3-14(18)19(29)26-21)20(30)27-9-13(10-27)12-5-6-16(22)17(23)7-12/h5-8,13H,2-4,9-10H2,1H3,(H,25,26,29)
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| InChIKey |
DCNYREMNSILLAT-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