General Information of the Compound
| Compound ID |
CP0450713
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| Compound Name |
N-[4-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C20H25N3O3
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| Molecular Weight |
355.438
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| Canonical SMILES |
COc1cc2CCN(CCCCNC(=O)c3ccncc3)Cc2cc1O
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| InChI |
InChI=1S/C20H25N3O3/c1-26-19-13-16-6-11-23(14-17(16)12-18(19)24)10-3-2-7-22-20(25)15-4-8-21-9-5-15/h4-5,8-9,12-13,24H,2-3,6-7,10-11,14H2,1H3,(H,22,25)
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| InChIKey |
HWKLICWHSIHCJT-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