General Information of the Compound
| Compound ID |
CP0336108
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| Compound Name |
(+/-)-9-((3-(5-fluoro-1H-indol-3-yl)propyl)(3,3,3-trifluoropropyl)amino)-2,3,4,8,9,10-hexahydro-1H-pyrano[2,3-h]isoquinolin-1-one
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| Structure |
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| Formula |
C26H27F4N3O2
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| Molecular Weight |
489.513
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(CCC(F)(F)F)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C26H27F4N3O2/c27-18-4-5-22-20(12-18)17(14-32-22)2-1-10-33(11-8-26(28,29)30)19-13-21-23(35-15-19)6-3-16-7-9-31-25(34)24(16)21/h3-6,12,14,19,32H,1-2,7-11,13,15H2,(H,31,34)
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| InChIKey |
SPGIAGWDWLGCMY-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