General Information of the Compound
| Compound ID |
CP0667784
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| Compound Name |
(S)-N-(4-piperazin-1-yl)butyll)-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 |
C27H39N5
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| Molecular Weight |
433.644
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| Canonical SMILES |
c1ccc2c(c1)CN[C@@H](CN(CCCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2
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| InChI |
InChI=1S/C27H39N5/c1-2-8-24-20-30-25(19-23(24)7-1)21-32(16-4-3-15-31-17-13-28-14-18-31)26-11-5-9-22-10-6-12-29-27(22)26/h1-2,6-8,10,12,25-26,28,30H,3-5,9,11,13-21H2/t25-,26+/m1/s1
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| InChIKey |
ZUORIWBNCYXTEG-FTJBHMTQSA-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