General Information of the Compound
| Compound ID |
CP0726225
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| Compound Name |
N,5-dimethyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-N-(quinolin-6-ylmethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H22N6O2
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| Molecular Weight |
414.469
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| Canonical SMILES |
Cc1c(C(=O)N(C)Cc2ccc3ncccc3c2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C23H22N6O2/c1-14-18(12-25-29(14)23-26-20-7-3-6-17(20)21(30)27-23)22(31)28(2)13-15-8-9-19-16(11-15)5-4-10-24-19/h4-5,8-12H,3,6-7,13H2,1-2H3,(H,26,27,30)
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| InChIKey |
PXHCVRXRZRCFGY-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