General Information of the Compound
| Compound ID |
CP0405734
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| Compound Name |
1-(3-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)phenyl)ethanone
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| Structure |
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| Formula |
C21H25FN2O3
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| Molecular Weight |
372.44
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| Canonical SMILES |
CC(=O)c1cccc(OCC(O)CN2CCN(CC2)c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C21H25FN2O3/c1-16(25)17-3-2-4-21(13-17)27-15-20(26)14-23-9-11-24(12-10-23)19-7-5-18(22)6-8-19/h2-8,13,20,26H,9-12,14-15H2,1H3
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| InChIKey |
XEBXRYROCRXBPW-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