General Information of the Compound
| Compound ID |
CP0563169
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| Compound Name |
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]propane-1,3-diamine
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| Structure |
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| Formula |
C21H24N4
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| Molecular Weight |
332.451
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| Canonical SMILES |
NCCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H24N4/c22-11-5-12-23-20-14-21(24-19-9-4-3-8-18(19)20)25-13-10-16-6-1-2-7-17(16)15-25/h1-4,6-9,14H,5,10-13,15,22H2,(H,23,24)
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| InChIKey |
QBNISQSMYVLRHP-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