General Information of the Compound
| Compound ID |
CP0345079
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| Compound Name |
(+/-)-8-((3-(5-fluoro-1H-indol-3-yl)propyl)(methyl)amino)-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
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| Structure |
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| Formula |
C23H24FN3O2
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| Molecular Weight |
393.462
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| Canonical SMILES |
CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
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| InChI |
InChI=1S/C23H24FN3O2/c1-27(8-2-3-14-11-25-20-6-5-16(24)9-18(14)20)17-10-19-21(29-13-17)7-4-15-12-26-23(28)22(15)19/h4-7,9,11,17,25H,2-3,8,10,12-13H2,1H3,(H,26,28)
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| InChIKey |
XTSOIKPIGSXYHG-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