General Information of the Compound
| Compound ID |
CP0957165
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| Compound Name |
(4-((2-((7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)benzamido)methyl)phenyl)boronic acid
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| Structure |
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| Formula |
C20H16BN5O6
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| Molecular Weight |
433.189
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| Canonical SMILES |
O=C(NCc1ccc(B(O)O)cc1)c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12
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| InChI |
InChI=1S/C20H16BN5O6/c27-20(22-11-12-5-7-13(8-6-12)21(28)29)14-3-1-2-4-15(14)23-16-9-10-17(26(30)31)19-18(16)24-32-25-19/h1-10,23,28-29H,11H2,(H,22,27)
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| InChIKey |
DFVATHMAHQYGPC-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