General Information of the Compound
| Compound ID |
CP0910813
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| Compound Name |
[2-[(2R)-3-[4-[(2S)-3-(2-benzoylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
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| Structure |
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| Formula |
C36H38N2O6
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| Molecular Weight |
594.708
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| Canonical SMILES |
O=C(c1ccccc1)c1ccccc1OC[C@@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C36H38N2O6/c39-29(25-43-33-17-9-7-15-31(33)35(41)27-11-3-1-4-12-27)23-37-19-21-38(22-20-37)24-30(40)26-44-34-18-10-8-16-32(34)36(42)28-13-5-2-6-14-28/h1-18,29-30,39-40H,19-26H2/t29-,30+
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| InChIKey |
DDFNGYBINAZREK-RNPORBBMSA-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