General Information of the Compound
| Compound ID |
CP0468242
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| Compound Name |
2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C16H20N4OS
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| Molecular Weight |
316.43
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(s1)N1CCN2CCCC2C1
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| InChI |
InChI=1S/C16H20N4OS/c1-21-14-6-4-12(5-7-14)15-17-18-16(22-15)20-10-9-19-8-2-3-13(19)11-20/h4-7,13H,2-3,8-11H2,1H3
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| InChIKey |
WLUXMEPIHPPJSV-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