General Information of the Compound
| Compound ID |
CP0440962
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[5-(2-morpholin-4-ylethyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C19H26BrFN8O5S
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| Molecular Weight |
577.437
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCN(CCN2CCOCC2)S1(=O)=O
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| InChI |
InChI=1S/C19H26BrFN8O5S/c20-15-13-14(1-2-16(15)21)23-19(24-30)17-18(26-34-25-17)22-3-4-28-7-8-29(35(28,31)32)6-5-27-9-11-33-12-10-27/h1-2,13,30H,3-12H2,(H,22,26)(H,23,24)
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| InChIKey |
WFLHTSBRAXUAJW-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