General Information of the Compound
| Compound ID |
CP0250913
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| Compound Name |
2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)methyl)-8-methoxy-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
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| Structure |
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| Formula |
C24H26FN3O2
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| Molecular Weight |
407.489
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| Canonical SMILES |
COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12
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| InChI |
InChI=1S/C24H26FN3O2/c1-27-14-18(30-24-22(27)4-3-5-23(24)29-2)15-28-10-8-16(9-11-28)20-13-26-21-7-6-17(25)12-19(20)21/h3-8,12-13,18,26H,9-11,14-15H2,1-2H3
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| InChIKey |
MEZAIHGIIAYINU-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