General Information of the Compound
| Compound ID |
CP0848611
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
COc1ccc(N2CCN(C[C@@H](O)COc3ccccc3C(=O)CCc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C29H34N2O4/c1-34-26-14-12-24(13-15-26)31-19-17-30(18-20-31)21-25(32)22-35-29-10-6-5-9-27(29)28(33)16-11-23-7-3-2-4-8-23/h2-10,12-15,25,32H,11,16-22H2,1H3/t25-/m1/s1
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| InChIKey |
DKKOAQAPFLBSMV-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