General Information of the Compound
| Compound ID |
CP0104001
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| Compound Name |
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C23H27N5O3S
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| Molecular Weight |
453.568
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| Canonical SMILES |
CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
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| InChI |
InChI=1S/C23H27N5O3S/c1-27(16-6-3-2-4-7-16)22(31)15-9-10-18-17(14-15)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-14,16H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30)
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| InChIKey |
UPTBAQYFWWXHPB-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