General Information of the Compound
| Compound ID |
CP0667357
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| Compound Name |
(S)-N-(2-((R)-piperidin-3-yl)ethyl)-N-(((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H36N4
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| Molecular Weight |
404.602
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| Canonical SMILES |
c1ccc2c(c1)CN[C@@H](CN(CC[C@H]1CCCNC1)[C@H]1CCCc3cccnc31)C2
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| InChI |
InChI=1S/C26H36N4/c1-2-8-23-18-29-24(16-22(23)7-1)19-30(15-12-20-6-4-13-27-17-20)25-11-3-9-21-10-5-14-28-26(21)25/h1-2,5,7-8,10,14,20,24-25,27,29H,3-4,6,9,11-13,15-19H2/t20-,24-,25+/m1/s1
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| InChIKey |
YPLCBNLGVGQEFT-ZPZUNKDASA-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