General Information of the Compound
| Compound ID |
CP0962123
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| Compound Name |
tert-butyl(1-(5-methyl-1-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)azetidin-3-yl)methylcarbamate
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| Structure |
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| Formula |
C20H24N6O4S
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| Molecular Weight |
444.517
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| Canonical SMILES |
Cc1c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H24N6O4S/c1-11-13(8-22-26(11)18-23-14-5-6-31-15(14)16(27)24-18)17(28)25-9-12(10-25)7-21-19(29)30-20(2,3)4/h5-6,8,12H,7,9-10H2,1-4H3,(H,21,29)(H,23,24,27)
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| InChIKey |
YAUMRVATHLKQHC-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