General Information of the Compound
| Compound ID |
CP0506231
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| Compound Name |
N'-(1H-benzimidazol-2-ylmethyl)-N,N-dimethyl-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
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| Structure |
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| Formula |
C23H31N5
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| Molecular Weight |
377.536
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| Canonical SMILES |
CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C23H31N5/c1-27(2)15-5-6-16-28(17-22-25-19-11-3-4-12-20(19)26-22)21-13-7-9-18-10-8-14-24-23(18)21/h3-4,8,10-12,14,21H,5-7,9,13,15-17H2,1-2H3,(H,25,26)
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| InChIKey |
KSXGYXRHMMQMJD-UHFFFAOYSA-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