General Information of the Compound
| Compound ID |
CP0902343
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[4-(2-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 |
COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C(=O)CCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H34N2O4/c1-34-29-14-8-6-12-26(29)31-19-17-30(18-20-31)21-24(32)22-35-28-13-7-5-11-25(28)27(33)16-15-23-9-3-2-4-10-23/h2-14,24,32H,15-22H2,1H3/t24-/m1/s1
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| InChIKey |
DZZBQXHAEAPAHL-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