General Information of the Compound
| Compound ID |
CP0387340
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| Compound Name |
2-[2-(1H-indol-3-yl)ethyl]-1,3-dihydrobenzo[de]isoquinoline
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| Structure |
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| Formula |
C22H20N2
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| Molecular Weight |
312.416
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| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)N1Cc2cccc3cccc(C1)c23
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| InChI |
InChI=1S/C22H20N2/c1-2-10-21-20(9-1)17(13-23-21)11-12-24-14-18-7-3-5-16-6-4-8-19(15-24)22(16)18/h1-10,13,23H,11-12,14-15H2
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| InChIKey |
GRCGGPPCYZWUJQ-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