General Information of the Compound
| Compound ID |
CP0291502
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| Compound Name |
2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine
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| Structure |
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| Formula |
C22H25NO2S
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| Molecular Weight |
367.514
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| Canonical SMILES |
CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccsc1
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| InChI |
InChI=1S/C22H25NO2S/c1-17(2)25-22-9-4-3-8-21(22)24-12-11-23-15-18-6-5-7-19(14-18)20-10-13-26-16-20/h3-10,13-14,16-17,23H,11-12,15H2,1-2H3
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| InChIKey |
DRSYLBZPVRFSTI-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