General Information of the Compound
| Compound ID |
CP0568765
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| Compound Name |
tert-butyl 4-[3-[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]propyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C19H30N6O3S
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| Molecular Weight |
422.555
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| Canonical SMILES |
CCc1cc(=O)n2nc(NCCCN3CCN(CC3)C(=O)OC(C)(C)C)sc2n1
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| InChI |
InChI=1S/C19H30N6O3S/c1-5-14-13-15(26)25-17(21-14)29-16(22-25)20-7-6-8-23-9-11-24(12-10-23)18(27)28-19(2,3)4/h13H,5-12H2,1-4H3,(H,20,22)
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| InChIKey |
MMDCWCSFXQAKSC-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