General Information of the Compound
| Compound ID |
CP0547109
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| Compound Name |
benzyl 4-[2-[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]ethyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H26N6O3S
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| Molecular Weight |
442.545
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| Canonical SMILES |
CCc1cc(=O)n2nc(NCCN3CCN(CC3)C(=O)OCc3ccccc3)sc2n1
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| InChI |
InChI=1S/C21H26N6O3S/c1-2-17-14-18(28)27-20(23-17)31-19(24-27)22-8-9-25-10-12-26(13-11-25)21(29)30-15-16-6-4-3-5-7-16/h3-7,14H,2,8-13,15H2,1H3,(H,22,24)
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| InChIKey |
PXFHZJZNYBQRCJ-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