General Information of the Compound
| Compound ID |
CP0778108
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| Compound Name |
3-{8-[2-(3,4-Dihydro-benzo[c][1,2]dioxin-8-yloxy)-ethyl]-8-aza-bicyclo[3.2.1]oct-2-en-3-yl}-1H-indole
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| Structure |
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| Formula |
C25H26N2O3
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| Molecular Weight |
402.494
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| Canonical SMILES |
C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2c1OCCO2
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| InChI |
InChI=1S/C25H26N2O3/c1-2-5-22-20(4-1)21(16-26-22)17-14-18-8-9-19(15-17)27(18)10-11-28-23-6-3-7-24-25(23)30-13-12-29-24/h1-7,14,16,18-19,26H,8-13,15H2
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| InChIKey |
DJNWXEYVXXAHII-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