General Information of the Compound
| Compound ID |
CP0241356
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| Compound Name |
N',N'-dibenzyl-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 |
C37H44N4
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| Molecular Weight |
544.787
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| Canonical SMILES |
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C37H44N4/c1-3-13-30(14-4-1)27-40(28-31-15-5-2-6-16-31)23-9-10-24-41(36-21-11-19-32-20-12-22-38-37(32)36)29-35-25-33-17-7-8-18-34(33)26-39-35/h1-8,12-18,20,22,35-36,39H,9-11,19,21,23-29H2/t35-,36+/m1/s1
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| InChIKey |
PCNVYDZQYJVYOG-XDSPJLLDSA-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