General Information of the Compound
| Compound ID |
CP0401499
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| Compound Name |
7-cyclopentyloxy-2-[(2-fluorophenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C22H26FNO2
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| Molecular Weight |
355.453
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| Canonical SMILES |
COc1cc2CCN(Cc3ccccc3F)Cc2cc1OC1CCCC1
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| InChI |
InChI=1S/C22H26FNO2/c1-25-21-12-16-10-11-24(14-17-6-2-5-9-20(17)23)15-18(16)13-22(21)26-19-7-3-4-8-19/h2,5-6,9,12-13,19H,3-4,7-8,10-11,14-15H2,1H3
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| InChIKey |
RNATVJQFNGBLNH-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