General Information of the Compound
| Compound ID |
CP0545493
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| Compound Name |
N'-(isoquinolin-1-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)Cc1nccc2ccccc12
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| InChI |
InChI=1S/C24H30N4/c25-12-5-6-14-28(17-22-15-20-8-1-2-9-21(20)16-27-22)18-24-23-10-4-3-7-19(23)11-13-26-24/h1-4,7-11,13,22,27H,5-6,12,14-18,25H2/t22-/m1/s1
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| InChIKey |
LCSHFPQAQGETQQ-JOCHJYFZSA-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