General Information of the Compound
| Compound ID |
CP0554440
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| Compound Name |
2-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]ethylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
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| Structure |
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| Formula |
C19H30N6O2S
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| Molecular Weight |
406.556
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| Canonical SMILES |
CCc1cc(=O)n2nc(NCCN3CCN(CC3)C(=O)CC(C)(C)C)sc2n1
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| InChI |
InChI=1S/C19H30N6O2S/c1-5-14-12-15(26)25-18(21-14)28-17(22-25)20-6-7-23-8-10-24(11-9-23)16(27)13-19(2,3)4/h12H,5-11,13H2,1-4H3,(H,20,22)
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| InChIKey |
VCNPJFQRZWPBKJ-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