General Information of the Compound
| Compound ID |
CP0913304
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| Compound Name |
1-[3-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CC(=O)c1cccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)c1
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| InChI |
InChI=1S/C22H28N2O3/c1-17-6-3-4-9-22(17)24-12-10-23(11-13-24)15-20(26)16-27-21-8-5-7-19(14-21)18(2)25/h3-9,14,20,26H,10-13,15-16H2,1-2H3/t20-/m1/s1
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| InChIKey |
CHFFKXISONCMED-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