General Information of the Compound
| Compound ID |
CP0745050
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| Compound Name |
benzyl 1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C24H25N5O4
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| Molecular Weight |
447.495
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| Canonical SMILES |
Cc1c(C(=O)N2CCCC2C(=O)OCc2ccccc2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C24H25N5O4/c1-15-18(13-25-29(15)24-26-19-10-5-9-17(19)21(30)27-24)22(31)28-12-6-11-20(28)23(32)33-14-16-7-3-2-4-8-16/h2-4,7-8,13,20H,5-6,9-12,14H2,1H3,(H,26,27,30)
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| InChIKey |
LQERBZMFWWQHPR-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