General Information of the Compound
| Compound ID |
CP0812546
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| Compound Name |
tert-butyl(1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)azetidin-3-yl)methylcarbamate
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| Structure |
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| Formula |
C21H28N6O4
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| Molecular Weight |
428.493
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| Canonical SMILES |
Cc1c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H28N6O4/c1-12-15(9-23-27(12)19-24-16-7-5-6-14(16)17(28)25-19)18(29)26-10-13(11-26)8-22-20(30)31-21(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,22,30)(H,24,25,28)
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| InChIKey |
MTMFAYHHXJFVSE-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