General Information of the Compound
| Compound ID |
CP0713509
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| Compound Name |
4-methyl-1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperidine-4-carbonitrile
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| Structure |
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| Formula |
C19H22N6O2
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| Molecular Weight |
366.425
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C)(C#N)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C19H22N6O2/c1-12-14(17(27)24-8-6-19(2,11-20)7-9-24)10-21-25(12)18-22-15-5-3-4-13(15)16(26)23-18/h10H,3-9H2,1-2H3,(H,22,23,26)
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| InChIKey |
SXUOBUQNWVUFBD-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