General Information of the Compound
| Compound ID |
CP0198991
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| Compound Name |
2-(4-cyclobutoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C28H37N3O2
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| Molecular Weight |
447.623
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC4CCC4)cc3)nc2c1
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| InChI |
InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)22-12-15-26-25(19-22)29-27(31(26)17-16-20(3)4)18-21-10-13-24(14-11-21)33-23-8-7-9-23/h10-15,19-20,23H,5-9,16-18H2,1-4H3
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| InChIKey |
OCQRTISEANCLQE-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