General Information of the Compound
| Compound ID |
CP0527099
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| Compound Name |
N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
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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 |
COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
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| InChI |
InChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30)
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| InChIKey |
HJJHPNDUMFXUSH-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