General Information of the Compound
| Compound ID |
CP0527100
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| Compound Name |
N-[[2-(aminomethyl)-4-(methoxymethyl)phenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C27H31N5O
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| Molecular Weight |
441.579
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| Canonical SMILES |
COCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
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| InChI |
InChI=1S/C27H31N5O/c1-33-18-19-11-12-21(22(14-19)15-28)16-32(17-26-30-23-8-2-3-9-24(23)31-26)25-10-4-6-20-7-5-13-29-27(20)25/h2-3,5,7-9,11-14,25H,4,6,10,15-18,28H2,1H3,(H,30,31)
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| InChIKey |
HTTYROVIMQHHGU-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