General Information of the Compound
| Compound ID |
CP0183907
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| Compound Name |
5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-8-aza-bicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
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| Structure |
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| Formula |
C25H25FN2O3
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| Molecular Weight |
420.484
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| Canonical SMILES |
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12
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| InChI |
InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1
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| InChIKey |
JNQGARYQOOKJCC-GRERDSQWSA-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