General Information of the Compound
| Compound ID |
CP0281205
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| Compound Name |
(+/-)-9-iso-butyl(3-(5-fluoro-1H-indol-3-yl)propyl)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 |
C27H32FN3O2
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| Molecular Weight |
449.57
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| Canonical SMILES |
CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
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| InChI |
InChI=1S/C27H32FN3O2/c1-17(2)15-31(11-3-4-19-14-30-24-7-6-20(28)12-22(19)24)21-13-23-25(33-16-21)8-5-18-9-10-29-27(32)26(18)23/h5-8,12,14,17,21,30H,3-4,9-11,13,15-16H2,1-2H3,(H,29,32)
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| InChIKey |
GVRZRZLXJQOUEQ-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