General Information of the Compound
| Compound ID |
CP0957634
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| Compound Name |
(1S)-1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-ol
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| Structure |
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| Formula |
C29H36N2O3
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| Molecular Weight |
460.618
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| Canonical SMILES |
Cc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2[C@@H](O)CCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H36N2O3/c1-23-9-5-7-13-27(23)31-19-17-30(18-20-31)21-25(32)22-34-29-14-8-6-12-26(29)28(33)16-15-24-10-3-2-4-11-24/h2-14,25,28,32-33H,15-22H2,1H3/t25-,28+/m1/s1
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| InChIKey |
OTTBAXUHHJYAOQ-NAKRPHOHSA-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