General Information of the Compound
| Compound ID |
CP0939949
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| Compound Name |
1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]ethanone
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| Structure |
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| Formula |
C22H27FN2O3
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| Molecular Weight |
386.467
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| Canonical SMILES |
CC(=O)c1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H27FN2O3/c1-16-3-8-22(21(13-16)17(2)26)28-15-20(27)14-24-9-11-25(12-10-24)19-6-4-18(23)5-7-19/h3-8,13,20,27H,9-12,14-15H2,1-2H3/t20-/m1/s1
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| InChIKey |
VCQWQXSPNPZWQZ-HXUWFJFHSA-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