General Information of the Compound
| Compound ID |
CP0533313
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| Compound Name |
N'-[(3-ethenylpyridin-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 |
C22H30N4
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| Molecular Weight |
350.51
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C=C
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| InChI |
InChI=1S/C22H30N4/c1-2-18-10-7-12-24-22(18)17-26(13-6-5-11-23)16-21-14-19-8-3-4-9-20(19)15-25-21/h2-4,7-10,12,21,25H,1,5-6,11,13-17,23H2/t21-/m1/s1
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| InChIKey |
PSBSPLYSCIXZNC-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