General Information of the Compound
| Compound ID |
CP0495144
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| Compound Name |
2-[3-[benzyl(methyl)amino]propylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C18H23N5OS
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| Molecular Weight |
357.483
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| Canonical SMILES |
CCc1cc(=O)n2nc(NCCCN(C)Cc3ccccc3)sc2n1
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| InChI |
InChI=1S/C18H23N5OS/c1-3-15-12-16(24)23-18(20-15)25-17(21-23)19-10-7-11-22(2)13-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,19,21)
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| InChIKey |
LINCBYHOPGCJSS-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