General Information of the Compound
| Compound ID |
CP0494609
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| Compound Name |
ethyl 5-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)propyl-methylamino]-2-phenyl-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C29H41N3O2
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| Molecular Weight |
463.666
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| Canonical SMILES |
CCOC(=O)C(CCCN(C)CCCc1nc2cc(C)c(C)cc2[nH]1)(C(C)C)c1ccccc1
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| InChI |
InChI=1S/C29H41N3O2/c1-7-34-28(33)29(21(2)3,24-13-9-8-10-14-24)16-12-18-32(6)17-11-15-27-30-25-19-22(4)23(5)20-26(25)31-27/h8-10,13-14,19-21H,7,11-12,15-18H2,1-6H3,(H,30,31)
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| InChIKey |
LGFPWQKLNYNGIJ-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