General Information of the Compound
| Compound ID |
CP0910805
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| Compound Name |
1-[2-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C28H31FN2O3
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| Molecular Weight |
462.565
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H31FN2O3/c29-23-11-13-24(14-12-23)31-18-16-30(17-19-31)20-25(32)21-34-28-9-5-4-8-26(28)27(33)15-10-22-6-2-1-3-7-22/h1-9,11-14,25,32H,10,15-21H2/t25-/m1/s1
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| InChIKey |
UQOKEVFVYZVXCW-RUZDIDTESA-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