General Information of the Compound
| Compound ID |
CP0570978
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| Compound Name |
7-ethyl-2-[3-[(5-methylpyridin-2-yl)amino]propylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C16H20N6OS
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| Molecular Weight |
344.444
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| Canonical SMILES |
CCc1cc(=O)n2nc(NCCCNc3ccc(C)cn3)sc2n1
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| InChI |
InChI=1S/C16H20N6OS/c1-3-12-9-14(23)22-16(20-12)24-15(21-22)18-8-4-7-17-13-6-5-11(2)10-19-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,21)
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| InChIKey |
DEXZCVQUADGCJB-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