General Information of the Compound
| Compound ID |
CP0454515
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| Compound Name |
2-(3-cyanobenzamido)-N,N-diethyl-1-(3-methoxypropyl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc2nc(NC(=O)c3cccc(c3)C#N)n(CCCOC)c2c1
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| InChI |
InChI=1S/C24H27N5O3/c1-4-28(5-2)23(31)19-10-11-20-21(15-19)29(12-7-13-32-3)24(26-20)27-22(30)18-9-6-8-17(14-18)16-25/h6,8-11,14-15H,4-5,7,12-13H2,1-3H3,(H,26,27,30)
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| InChIKey |
NXWWBEGHBCKZRP-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