General Information of the Compound
| Compound ID |
CP0412797
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| Compound Name |
N'-[(5-methylpyridin-2-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C21H30N4
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| Molecular Weight |
338.499
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| Canonical SMILES |
Cc1ccc(CN(CCCCN)C[C@H]2Cc3ccccc3CN2)nc1
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| InChI |
InChI=1S/C21H30N4/c1-17-8-9-20(23-13-17)15-25(11-5-4-10-22)16-21-12-18-6-2-3-7-19(18)14-24-21/h2-3,6-9,13,21,24H,4-5,10-12,14-16,22H2,1H3/t21-/m1/s1
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| InChIKey |
UMPFGCUHJPFUDG-OAQYLSRUSA-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