General Information of the Compound
| Compound ID |
CP0250914
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| Compound Name |
2-(5-fluoro-1H-indol-3-yl)-N-((4-phenyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)ethanamine
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| Structure |
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| Formula |
C25H24FN3O
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| Molecular Weight |
401.485
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCNCC3CN(c4ccccc4)c4ccccc4O3)c2c1
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| InChI |
InChI=1S/C25H24FN3O/c26-19-10-11-23-22(14-19)18(15-28-23)12-13-27-16-21-17-29(20-6-2-1-3-7-20)24-8-4-5-9-25(24)30-21/h1-11,14-15,21,27-28H,12-13,16-17H2
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| InChIKey |
NRBFTMKCXJZQSW-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