General Information of the Compound
| Compound ID |
CP0438293
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| Compound Name |
1-[2-[(3,5-dimethylphenyl)methoxy]-1-phenylethyl]piperazine
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| Structure |
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| Formula |
C21H28N2O
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| Molecular Weight |
324.468
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| Canonical SMILES |
Cc1cc(C)cc(COCC(N2CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C21H28N2O/c1-17-12-18(2)14-19(13-17)15-24-16-21(20-6-4-3-5-7-20)23-10-8-22-9-11-23/h3-7,12-14,21-22H,8-11,15-16H2,1-2H3
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| InChIKey |
KMWRUIFFHQONSY-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