General Information of the Compound
| Compound ID |
CP0475647
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| Compound Name |
2-(3-methoxyphenyl)-1-(2-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C22H30N2O3
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| Molecular Weight |
370.493
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| Canonical SMILES |
COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
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| InChI |
InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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| InChIKey |
VXPILWLRLIZERK-UHFFFAOYSA-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