General Information of the Compound
| Compound ID |
CP0902345
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| Compound Name |
1-[3-[(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)c1cccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C28H31FN2O3/c29-24-10-12-25(13-11-24)31-17-15-30(16-18-31)20-26(32)21-34-27-8-4-7-23(19-27)28(33)14-9-22-5-2-1-3-6-22/h1-8,10-13,19,26,32H,9,14-18,20-21H2/t26-/m1/s1
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| InChIKey |
YKPBKGMQMVWAGB-AREMUKBSSA-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