General Information of the Compound
| Compound ID |
CP0470593
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| Compound Name |
1-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
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| InChI |
InChI=1S/C20H26N4O2/c1-2-19(25)17-5-7-18(8-6-17)26-16-4-11-23-12-14-24(15-13-23)20-21-9-3-10-22-20/h3,5-10H,2,4,11-16H2,1H3
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| InChIKey |
LINSUCGFGGNPDX-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