General Information of the Compound
| Compound ID |
CP0942725
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| Compound Name |
1-[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
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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 |
CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1
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| InChI |
InChI=1S/C22H27FN2O3/c1-2-22(27)17-3-9-21(10-4-17)28-16-20(26)15-24-11-13-25(14-12-24)19-7-5-18(23)6-8-19/h3-10,20,26H,2,11-16H2,1H3/t20-/m1/s1
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| InChIKey |
MNTWOTUEQFPHDH-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