General Information of the Compound
| Compound ID |
CP0249300
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| Compound Name |
N-piperidin-4-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 |
C28H41N5
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| Molecular Weight |
447.671
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| Canonical SMILES |
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCNCC1
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| InChI |
InChI=1S/C28H41N5/c1-2-8-24-20-32-26(19-23(24)7-1)21-33(18-4-3-14-30-25-12-16-29-17-13-25)27-11-5-9-22-10-6-15-31-28(22)27/h1-2,6-8,10,15,25-27,29-30,32H,3-5,9,11-14,16-21H2/t26-,27+/m1/s1
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| InChIKey |
BLOHFKPUNFANKF-SXOMAYOGSA-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