General Information of the Compound
| Compound ID |
CP0528081
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]phenyl]-3-butylurea
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| Structure |
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| Formula |
C26H37BrFN5O2
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| Molecular Weight |
550.517
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| Canonical SMILES |
CCCCNC(=O)Nc1cc(ccc1N(CC(C)C)CC(C)C)C(\Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C26H37BrFN5O2/c1-6-7-12-29-26(34)31-23-13-19(8-11-24(23)33(15-17(2)3)16-18(4)5)25(32-35)30-20-9-10-22(28)21(27)14-20/h8-11,13-14,17-18,35H,6-7,12,15-16H2,1-5H3,(H,30,32)(H2,29,31,34)
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| InChIKey |
ZBBNURYNHPCFQS-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