General Information of the Compound
| Compound ID |
CP0468641
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| Compound Name |
benzyl N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]carbamate
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| Structure |
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| Formula |
C18H18Cl2N4O3
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| Molecular Weight |
409.273
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl
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| InChI |
InChI=1S/C18H18Cl2N4O3/c1-11(25)23-16-14(19)7-13(8-15(16)20)9-22-17(21)24-18(26)27-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,23,25)(H3,21,22,24,26)
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| InChIKey |
YOXYQRSJPPMEJG-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