General Information of the Compound
| Compound ID |
CP0878555
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| Compound Name |
N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C22H23N5S
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| Molecular Weight |
389.528
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| Canonical SMILES |
NCc1cscc1N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
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| InChI |
InChI=1S/C22H23N5S/c23-11-16-13-28-14-20(16)27(12-21-25-17-7-1-2-8-18(17)26-21)19-9-3-5-15-6-4-10-24-22(15)19/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12,23H2,(H,25,26)
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| InChIKey |
QIBXOVRDBODCRT-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