General Information of the Compound
| Compound ID |
CP0502509
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| Compound Name |
1-(4-(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 |
OC(COc1ccc(cc1)C(=O)CCc1ccccc1)CN1CCN(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN2O3/c29-24-9-11-25(12-10-24)31-18-16-30(17-19-31)20-26(32)21-34-27-13-7-23(8-14-27)28(33)15-6-22-4-2-1-3-5-22/h1-5,7-14,26,32H,6,15-21H2
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| InChIKey |
CRSRSQNHOYZNPH-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