General Information of the Compound
| Compound ID |
CP0447561
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| Compound Name |
3-(3-(2-chlorophenoxy)propyl)-6-methyl-2-(piperazin-1-yl)pyrimidin-4(1H)-one
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| Structure |
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| Formula |
C18H23ClN4O2
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| Molecular Weight |
362.861
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| Canonical SMILES |
Cc1cc(=O)n(CCCOc2ccccc2Cl)c(n1)N1CCNCC1
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| InChI |
InChI=1S/C18H23ClN4O2/c1-14-13-17(24)23(18(21-14)22-10-7-20-8-11-22)9-4-12-25-16-6-3-2-5-15(16)19/h2-3,5-6,13,20H,4,7-12H2,1H3
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| InChIKey |
CBDZJEJDYIVITJ-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