General Information of the Compound
| Compound ID |
CP0948700
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| Compound Name |
1-[2-[(2R)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
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| Structure |
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| Formula |
C23H30N2O3
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| Molecular Weight |
382.504
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| Canonical SMILES |
CCC(=O)c1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H30N2O3/c1-2-22(27)21-10-6-7-11-23(21)28-18-20(26)17-25-14-12-24(13-15-25)16-19-8-4-3-5-9-19/h3-11,20,26H,2,12-18H2,1H3/t20-/m1/s1
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| InChIKey |
BYLIKFCRPYKQGH-HXUWFJFHSA-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