General Information of the Compound
| Compound ID |
CP0006133
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| Compound Name |
1-(2-methoxyphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]piperazine
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)c2ccccc2OC)ccc1OCC#C
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| InChI |
InChI=1S/C22H26N2O3/c1-4-15-27-21-10-9-18(16-22(21)26-3)17-23-11-13-24(14-12-23)19-7-5-6-8-20(19)25-2/h1,5-10,16H,11-15,17H2,2-3H3
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| InChIKey |
JBPDAINIVIROMA-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