General Information of the Compound
| Compound ID |
CP0957075
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| Compound Name |
1-[3-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H34N2O3
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| Molecular Weight |
458.602
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| Canonical SMILES |
Cc1ccccc1N1CCN(C[C@@H](O)COc2cccc(C(=O)CCc3ccccc3)c2)CC1
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| InChI |
InChI=1S/C29H34N2O3/c1-23-8-5-6-13-28(23)31-18-16-30(17-19-31)21-26(32)22-34-27-12-7-11-25(20-27)29(33)15-14-24-9-3-2-4-10-24/h2-13,20,26,32H,14-19,21-22H2,1H3/t26-/m1/s1
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| InChIKey |
SQAMLCUZFXAOIV-AREMUKBSSA-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