General Information of the Compound
| Compound ID |
CP0726227
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| Compound Name |
N-(2-cyanoethyl)-N-cyclohexyl-5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
Cc1c(C(=O)N(CCC#N)C2CCCCC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H26N6O2/c1-14-17(20(29)26(12-6-11-22)15-7-3-2-4-8-15)13-23-27(14)21-24-18-10-5-9-16(18)19(28)25-21/h13,15H,2-10,12H2,1H3,(H,24,25,28)
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| InChIKey |
ALQHMSRBVOCSNL-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