General Information of the Compound
| Compound ID |
CP0332972
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| Compound Name |
5-{2-[3-(1H-Indol-2-yl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-ethoxy}-quinoline
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| Structure |
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| Formula |
C26H25N3O
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| Molecular Weight |
395.506
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| Canonical SMILES |
C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12
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| InChI |
InChI=1S/C26H25N3O/c1-2-7-23-18(5-1)17-25(28-23)19-15-20-10-11-21(16-19)29(20)13-14-30-26-9-3-8-24-22(26)6-4-12-27-24/h1-9,12,15,17,20-21,28H,10-11,13-14,16H2
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| InChIKey |
XXYVBOMSGAYZIX-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