General Information of the Compound
| Compound ID |
CP0575285
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| Compound Name |
2-[2-[4-(2-cyclopentylacetyl)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 |
C20H30N6O2S
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| Molecular Weight |
418.567
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| Canonical SMILES |
CCc1cc(=O)n2nc(NCCN3CCN(CC3)C(=O)CC3CCCC3)sc2n1
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| InChI |
InChI=1S/C20H30N6O2S/c1-2-16-14-18(28)26-20(22-16)29-19(23-26)21-7-8-24-9-11-25(12-10-24)17(27)13-15-5-3-4-6-15/h14-15H,2-13H2,1H3,(H,21,23)
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| InChIKey |
XCXPGTCUSDKWLJ-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