General Information of the Compound
| Compound ID |
CP0289232
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| Compound Name |
(+/-)-9-(cyclobutyl(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 |
C27H30FN3O2
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| Molecular Weight |
447.554
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
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| InChI |
InChI=1S/C27H30FN3O2/c28-19-7-8-24-22(13-19)18(15-30-24)3-2-12-31(20-4-1-5-20)21-14-23-25(33-16-21)9-6-17-10-11-29-27(32)26(17)23/h6-9,13,15,20-21,30H,1-5,10-12,14,16H2,(H,29,32)
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| InChIKey |
VJOZSFVCVHBZFS-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