General Information of the Compound
| Compound ID |
CP0392755
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| Compound Name |
N-[4-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
COc1cc2CCN(CCCCNC(=O)c3ccnc4ccccc34)Cc2cc1O
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| InChI |
InChI=1S/C24H27N3O3/c1-30-23-15-17-9-13-27(16-18(17)14-22(23)28)12-5-4-10-26-24(29)20-8-11-25-21-7-3-2-6-19(20)21/h2-3,6-8,11,14-15,28H,4-5,9-10,12-13,16H2,1H3,(H,26,29)
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| InChIKey |
VKNHMOVYMQVLKC-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