General Information of the Compound
| Compound ID |
CP0947192
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| Compound Name |
2-(5-methyl-4-(4-(thiazol-2-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C20H22N6O2S
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| Molecular Weight |
410.503
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nccs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C20H22N6O2S/c1-12-15(19(28)25-8-5-13(6-9-25)18-21-7-10-29-18)11-22-26(12)20-23-16-4-2-3-14(16)17(27)24-20/h7,10-11,13H,2-6,8-9H2,1H3,(H,23,24,27)
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| InChIKey |
UOIBCGSBHYDTGI-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