General Information of the Compound
| Compound ID |
CP0478616
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| Compound Name |
(7-cyclopentyloxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)c1ccccn1
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| InChI |
InChI=1S/C21H24N2O3/c1-25-19-12-15-9-11-23(21(24)18-8-4-5-10-22-18)14-16(15)13-20(19)26-17-6-2-3-7-17/h4-5,8,10,12-13,17H,2-3,6-7,9,11,14H2,1H3
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| InChIKey |
UEPIOGXTMVWFPM-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