General Information of the Compound
| Compound ID |
CP0401473
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| Compound Name |
7-cyclopentyloxy-6-methoxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C21H26N2O2
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| Molecular Weight |
338.451
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| Canonical SMILES |
COc1cc2CCN(Cc3ccncc3)Cc2cc1OC1CCCC1
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| InChI |
InChI=1S/C21H26N2O2/c1-24-20-12-17-8-11-23(14-16-6-9-22-10-7-16)15-18(17)13-21(20)25-19-4-2-3-5-19/h6-7,9-10,12-13,19H,2-5,8,11,14-15H2,1H3
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| InChIKey |
JFTATCNGOJPNLD-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