General Information of the Compound
| Compound ID |
CP0947507
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]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(c2ccccc2C)CC1
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| InChI |
InChI=1S/C23H30N2O3/c1-3-22(27)20-9-5-7-11-23(20)28-17-19(26)16-24-12-14-25(15-13-24)21-10-6-4-8-18(21)2/h4-11,19,26H,3,12-17H2,1-2H3/t19-/m1/s1
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| InChIKey |
YOPAJCGNCYGJON-LJQANCHMSA-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