General Information of the Compound
| Compound ID |
CP0345080
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| Compound Name |
(+/-)-8-(cyclobutyl(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-2,3,8,9-tetrahydropyrano[3,2-e]isoindol-1(7H)-one
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C26H28FN3O2/c27-18-7-8-23-21(11-18)16(13-28-23)3-2-10-30(19-4-1-5-19)20-12-22-24(32-15-20)9-6-17-14-29-26(31)25(17)22/h6-9,11,13,19-20,28H,1-5,10,12,14-15H2,(H,29,31)
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| InChIKey |
KRRWQWFEECDVMT-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