General Information of the Compound
| Compound ID |
CP0034681
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| Compound Name |
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C21H24FN3O
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| Molecular Weight |
353.441
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| Canonical SMILES |
CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
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| InChI |
InChI=1S/C21H24FN3O/c1-2-25-14-17(26-21-6-4-3-5-20(21)25)13-23-10-9-15-12-24-19-8-7-16(22)11-18(15)19/h3-8,11-12,17,23-24H,2,9-10,13-14H2,1H3
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| InChIKey |
XKYLLYRSYNHDDE-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