General Information of the Compound
| Compound ID |
CP0032712
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| Compound Name |
7-[5-methoxy-2-(pyrazin-2-ylmethoxy)phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
COc1ccc(OCc2cnccn2)c(c1)-c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C22H23N3O2/c1-26-20-4-5-22(27-15-19-14-24-10-11-25-19)21(13-20)18-3-2-16-6-8-23-9-7-17(16)12-18/h2-5,10-14,23H,6-9,15H2,1H3
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| InChIKey |
FMSGHWWENVVKGG-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