General Information of the Compound
| Compound ID |
CP0308163
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| Compound Name |
2-(5-fluoro-1H-indol-3-yl)-N-((4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)ethanamine
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| Structure |
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| Formula |
C20H22FN3O
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| Molecular Weight |
339.414
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| Canonical SMILES |
CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
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| InChI |
InChI=1S/C20H22FN3O/c1-24-13-16(25-20-5-3-2-4-19(20)24)12-22-9-8-14-11-23-18-7-6-15(21)10-17(14)18/h2-7,10-11,16,22-23H,8-9,12-13H2,1H3
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| InChIKey |
HKSQZWVTISLPTG-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