General Information of the Compound
| Compound ID |
CP0239718
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| Compound Name |
4-N-(2-aminophenyl)-1-N-[2-[[4-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethyl]benzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C25H22BrFN8O4
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| Molecular Weight |
597.405
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C25H22BrFN8O4/c26-17-13-16(9-10-18(17)27)31-23(33-38)21-22(35-39-34-21)29-11-12-30-24(36)14-5-7-15(8-6-14)25(37)32-20-4-2-1-3-19(20)28/h1-10,13,38H,11-12,28H2,(H,29,35)(H,30,36)(H,31,33)(H,32,37)
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| InChIKey |
SVRNWBRVAJUUOX-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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Table of Molecular Bioactivities Related to the Compound