General Information of the Compound
| Compound ID |
CP0289233
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| Compound Name |
(+/-)-8-(3-(5-fluoro-1H-indol-3-yl)propylamino)-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
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| Structure |
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| Formula |
C22H22FN3O2
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| Molecular Weight |
379.435
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C22H22FN3O2/c23-15-4-5-19-17(8-15)13(10-25-19)2-1-7-24-16-9-18-20(28-12-16)6-3-14-11-26-22(27)21(14)18/h3-6,8,10,16,24-25H,1-2,7,9,11-12H2,(H,26,27)
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| InChIKey |
HLUXTZQWSRDLAS-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