General Information of the Compound
| Compound ID |
CP0187000
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| Compound Name |
2-(5-fluoro-1H-indol-3-yl)-N-((4-isobutyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)ethanamine
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| Structure |
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| Formula |
C23H28FN3O
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| Molecular Weight |
381.495
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| Canonical SMILES |
CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
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| InChI |
InChI=1S/C23H28FN3O/c1-16(2)14-27-15-19(28-23-6-4-3-5-22(23)27)13-25-10-9-17-12-26-21-8-7-18(24)11-20(17)21/h3-8,11-12,16,19,25-26H,9-10,13-15H2,1-2H3
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| InChIKey |
SBHYFFVEUPXWKL-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