General Information of the Compound
| Compound ID |
CP0578025
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]phenyl]-3-pyrimidin-5-ylurea
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| Structure |
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| Formula |
C26H31BrFN7O2
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| Molecular Weight |
572.483
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)C(\Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C26H31BrFN7O2/c1-16(2)13-35(14-17(3)4)24-8-5-18(25(34-37)31-19-6-7-22(28)21(27)10-19)9-23(24)33-26(36)32-20-11-29-15-30-12-20/h5-12,15-17,37H,13-14H2,1-4H3,(H,31,34)(H2,32,33,36)
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| InChIKey |
QSVKFMLOZNPKJJ-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