General Information of the Compound
| Compound ID |
CP0473709
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| Compound Name |
N'-(isoquinolin-3-ylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
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| Structure |
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| Formula |
C24H30N4
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| Molecular Weight |
374.532
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1cc2ccccc2cn1
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| InChI |
InChI=1S/C24H30N4/c25-11-5-6-12-28(17-23-13-19-7-1-3-9-21(19)15-26-23)18-24-14-20-8-2-4-10-22(20)16-27-24/h1-4,7-10,13,15,24,27H,5-6,11-12,14,16-18,25H2/t24-/m1/s1
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| InChIKey |
KFPMIJKGKHDSQV-XMMPIXPASA-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