General Information of the Compound
| Compound ID |
CP0393051
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| Compound Name |
N-isoquinolin-5-yl-4-pentylbenzamide
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
CCCCCc1ccc(cc1)C(=O)Nc1cccc2cnccc12
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| InChI |
InChI=1S/C21H22N2O/c1-2-3-4-6-16-9-11-17(12-10-16)21(24)23-20-8-5-7-18-15-22-14-13-19(18)20/h5,7-15H,2-4,6H2,1H3,(H,23,24)
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| InChIKey |
NZFPSBFSXYEZJQ-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