General Information of the Compound
| Compound ID |
CP0745046
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| Compound Name |
2-ethyl-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)butanenitrile
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| Structure |
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| Formula |
C23H30N6O2
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| Molecular Weight |
422.533
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| Canonical SMILES |
CCC(C#N)(CC)C1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1
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| InChI |
InChI=1S/C23H30N6O2/c1-4-23(5-2,14-24)16-9-11-28(12-10-16)21(31)18-13-25-29(15(18)3)22-26-19-8-6-7-17(19)20(30)27-22/h13,16H,4-12H2,1-3H3,(H,26,27,30)
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| InChIKey |
BRUXKLOXIXLHST-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