General Information of the Compound
| Compound ID |
CP0332108
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| Compound Name |
(+/-)-9-((3-(5-fluoro-1H-indol-3-yl)propyl)(methyl)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 |
C24H26FN3O2
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| Molecular Weight |
407.489
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| Canonical SMILES |
CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
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| InChI |
InChI=1S/C24H26FN3O2/c1-28(10-2-3-16-13-27-21-6-5-17(25)11-19(16)21)18-12-20-22(30-14-18)7-4-15-8-9-26-24(29)23(15)20/h4-7,11,13,18,27H,2-3,8-10,12,14H2,1H3,(H,26,29)
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| InChIKey |
KMLCAXOEHCQJRO-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