General Information of the Compound
| Compound ID |
CP0926357
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| Compound Name |
[3-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
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| Structure |
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| Formula |
C26H27FN2O3
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| Molecular Weight |
434.511
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| Canonical SMILES |
O=C(c1ccccc1)c1cccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C26H27FN2O3/c27-22-9-11-23(12-10-22)29-15-13-28(14-16-29)18-24(30)19-32-25-8-4-7-21(17-25)26(31)20-5-2-1-3-6-20/h1-12,17,24,30H,13-16,18-19H2/t24-/m1/s1
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| InChIKey |
JLODMAOSNGLUJK-XMMPIXPASA-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