General Information of the Compound
| Compound ID |
CP0445507
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| Compound Name |
N-propan-2-yl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
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| Structure |
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| Formula |
C26H38N4
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| Molecular Weight |
406.618
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| Canonical SMILES |
CC(C)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C26H38N4/c1-20(2)27-14-5-6-16-30(25-13-7-11-21-12-8-15-28-26(21)25)19-24-17-22-9-3-4-10-23(22)18-29-24/h3-4,8-10,12,15,20,24-25,27,29H,5-7,11,13-14,16-19H2,1-2H3/t24-,25+/m1/s1
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| InChIKey |
BDYAGFDVEYDCAS-RPBOFIJWSA-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