General Information of the Compound
| Compound ID |
CP0496678
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| Compound Name |
[3-(aminomethyl)-4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methanol
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| Structure |
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| Formula |
C26H29N5O
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| Molecular Weight |
427.552
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| Canonical SMILES |
NCc1cc(CO)ccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
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| InChI |
InChI=1S/C26H29N5O/c27-14-21-13-18(17-32)10-11-20(21)15-31(16-25-29-22-7-1-2-8-23(22)30-25)24-9-3-5-19-6-4-12-28-26(19)24/h1-2,4,6-8,10-13,24,32H,3,5,9,14-17,27H2,(H,29,30)
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| InChIKey |
DCHBCRXYTVDVHS-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