General Information of the Compound
| Compound ID |
CP0460131
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| Compound Name |
2-(5-fluoro-1H-indol-3-yl)-N-((8-methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)ethanamine
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| Structure |
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| Formula |
C20H22FN3O2
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| Molecular Weight |
355.413
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| Canonical SMILES |
COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
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| InChI |
InChI=1S/C20H22FN3O2/c1-25-19-4-2-3-18-20(19)26-15(12-24-18)11-22-8-7-13-10-23-17-6-5-14(21)9-16(13)17/h2-6,9-10,15,22-24H,7-8,11-12H2,1H3
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| InChIKey |
BTAAVEHAAOAINP-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