General Information of the Compound
| Compound ID |
CP0903986
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-5-methoxyphenyl]ethanone
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| Structure |
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)c(C(C)=O)c1
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| InChI |
InChI=1S/C23H30N2O4/c1-17-6-4-5-7-22(17)25-12-10-24(11-13-25)15-19(27)16-29-23-9-8-20(28-3)14-21(23)18(2)26/h4-9,14,19,27H,10-13,15-16H2,1-3H3/t19-/m1/s1
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| InChIKey |
CAQSWUZBWKAERC-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