General Information of the Compound
| Compound ID |
CP0829388
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| Compound Name |
2-(1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperidin-4-yl)thiazole-4-carbonitrile
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| Structure |
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| Formula |
C21H21N7O2S
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| Molecular Weight |
435.513
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc(C#N)cs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H21N7O2S/c1-12-16(10-23-28(12)21-25-17-4-2-3-15(17)18(29)26-21)20(30)27-7-5-13(6-8-27)19-24-14(9-22)11-31-19/h10-11,13H,2-8H2,1H3,(H,25,26,29)
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| InChIKey |
XZBOLNHKGZOWEI-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