General Information of the Compound
| Compound ID |
CP0949379
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| Compound Name |
1-[2-[(2R)-3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H32N2O4
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| Molecular Weight |
472.585
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C29H32N2O4/c32-25(21-30-17-19-31(20-18-30)29(34)24-11-5-2-6-12-24)22-35-28-14-8-7-13-26(28)27(33)16-15-23-9-3-1-4-10-23/h1-14,25,32H,15-22H2/t25-/m1/s1
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| InChIKey |
JDHYTLQRORSYBS-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