General Information of the Compound
| Compound ID |
CP0527098
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| Compound Name |
N-[[2-(aminomethyl)-4-(trifluoromethyl)phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H26F3N5
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| Molecular Weight |
465.523
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| Canonical SMILES |
NCc1cc(ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12)C(F)(F)F
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| InChI |
InChI=1S/C26H26F3N5/c27-26(28,29)20-11-10-18(19(13-20)14-30)15-34(16-24-32-21-7-1-2-8-22(21)33-24)23-9-3-5-17-6-4-12-31-25(17)23/h1-2,4,6-8,10-13,23H,3,5,9,14-16,30H2,(H,32,33)
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| InChIKey |
FTSHHFSPOMIXMM-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