General Information of the Compound
| Compound ID |
CP0532461
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| Compound Name |
methyl 3-(aminomethyl)-4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoate
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
COC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)c(CN)c1
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| InChI |
InChI=1S/C27H29N5O2/c1-34-27(33)19-11-12-20(21(14-19)15-28)16-32(17-25-30-22-8-2-3-9-23(22)31-25)24-10-4-6-18-7-5-13-29-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,28H2,1H3,(H,30,31)
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| InChIKey |
HDKXIWYHUZPVLC-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