General Information of the Compound
| Compound ID |
CP0426700
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| Compound Name |
1-[4-[3-[4-(oxolan-2-yl)piperazin-1-yl]propoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C20H30N2O3
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| Molecular Weight |
346.471
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| Canonical SMILES |
CCC(=O)c1ccc(OCCCN2CCN(CC2)C2CCCO2)cc1
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| InChI |
InChI=1S/C20H30N2O3/c1-2-19(23)17-6-8-18(9-7-17)24-16-4-10-21-11-13-22(14-12-21)20-5-3-15-25-20/h6-9,20H,2-5,10-16H2,1H3
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| InChIKey |
RTMBMADCRYKVPG-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