General Information of the Compound
| Compound ID |
CP0415695
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| Compound Name |
3-((1-methyl-6-oxo-4-(piperazin-1-yl)-1,6-dihydropyrimidin-2-yl)methoxy)benzonitrile
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| Structure |
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| Formula |
C17H19N5O2
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| Molecular Weight |
325.372
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| Canonical SMILES |
Cn1c(COc2cccc(c2)C#N)nc(cc1=O)N1CCNCC1
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| InChI |
InChI=1S/C17H19N5O2/c1-21-16(12-24-14-4-2-3-13(9-14)11-18)20-15(10-17(21)23)22-7-5-19-6-8-22/h2-4,9-10,19H,5-8,12H2,1H3
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| InChIKey |
YHUSRCRQGWDNNM-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