General Information of the Compound
| Compound ID |
CP0422097
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| Compound Name |
6-bromo-2-((5-methoxy-1H-indol-3-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C19H19BrN2O
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| Molecular Weight |
371.278
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| Canonical SMILES |
COc1ccc2[nH]cc(CN3CCc4cc(Br)ccc4C3)c2c1
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| InChI |
InChI=1S/C19H19BrN2O/c1-23-17-4-5-19-18(9-17)15(10-21-19)12-22-7-6-13-8-16(20)3-2-14(13)11-22/h2-5,8-10,21H,6-7,11-12H2,1H3
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| InChIKey |
PAAGDNPGWLYLLT-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