General Information of the Compound
| Compound ID |
CP0673035
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| Compound Name |
3-((4-bromo-2-((2-carbamimidoylhydrazono)methyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C16H15BrN4O3
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| Molecular Weight |
391.225
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| Canonical SMILES |
N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C16H15BrN4O3/c17-13-4-5-14(12(7-13)8-20-21-16(18)19)24-9-10-2-1-3-11(6-10)15(22)23/h1-8H,9H2,(H,22,23)(H4,18,19,21)/b20-8+
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| InChIKey |
VTEVXISKMNHGCW-DNTJNYDQSA-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