General Information of the Compound
| Compound ID |
CP0957072
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| Compound Name |
[2-[(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)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C26H27FN2O3/c27-21-10-12-22(13-11-21)29-16-14-28(15-17-29)18-23(30)19-32-25-9-5-4-8-24(25)26(31)20-6-2-1-3-7-20/h1-13,23,30H,14-19H2/t23-/m1/s1
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| InChIKey |
UHWBVAVSBQYTQW-HSZRJFAPSA-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