General Information of the Compound
| Compound ID |
CP0524752
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| Compound Name |
N'-[[(3R)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-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 |
C29H37N5
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| Molecular Weight |
455.65
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| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1Cc1cccnc1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C29H37N5/c30-14-3-4-17-33(28-13-5-11-24-12-7-16-32-29(24)28)22-27-18-25-9-1-2-10-26(25)21-34(27)20-23-8-6-15-31-19-23/h1-2,6-10,12,15-16,19,27-28H,3-5,11,13-14,17-18,20-22,30H2/t27-,28+/m1/s1
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| InChIKey |
KWHOMQOPKZXAAF-IZLXSDGUSA-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