General Information of the Compound
| Compound ID |
CP0486176
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| Compound Name |
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C22H26N4
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| Molecular Weight |
346.478
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| Canonical SMILES |
NCCCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C22H26N4/c23-12-5-6-13-24-21-15-22(25-20-10-4-3-9-19(20)21)26-14-11-17-7-1-2-8-18(17)16-26/h1-4,7-10,15H,5-6,11-14,16,23H2,(H,24,25)
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| InChIKey |
XWEXSJUGTPTCLK-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