General Information of the Compound
| Compound ID |
CP0447559
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| Compound Name |
2-(3-chlorophenethyl)-3-methyl-6-(piperazin-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C17H21ClN4O
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| Molecular Weight |
332.835
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| Canonical SMILES |
Cn1c(CCc2cccc(Cl)c2)nc(cc1=O)N1CCNCC1
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| InChI |
InChI=1S/C17H21ClN4O/c1-21-15(6-5-13-3-2-4-14(18)11-13)20-16(12-17(21)23)22-9-7-19-8-10-22/h2-4,11-12,19H,5-10H2,1H3
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| InChIKey |
AJDBFLVHURZULN-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