General Information of the Compound
| Compound ID |
CP0377592
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| Compound Name |
4-((((1H-benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzaldehyde O-methyl oxime
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| Structure |
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| Formula |
C27H30N6O
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| Molecular Weight |
454.578
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| Canonical SMILES |
CO\N=C\c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
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| InChI |
InChI=1S/C27H30N6O/c1-34-30-16-19-11-12-21(22(14-19)15-28)17-33(18-26-31-23-8-2-3-9-24(23)32-26)25-10-4-6-20-7-5-13-29-27(20)25/h2-3,5,7-9,11-14,16,25H,4,6,10,15,17-18,28H2,1H3,(H,31,32)/b30-16+
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| InChIKey |
PAQDNLNFPXANND-OKCVXOCRSA-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