General Information of the Compound
| Compound ID |
CP0260915
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]phenyl]-3-propylurea
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| Structure |
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| Formula |
C25H35BrFN5O2
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| Molecular Weight |
536.49
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| Canonical SMILES |
CCCNC(=O)Nc1cc(ccc1N(CC(C)C)CC(C)C)C(\Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C25H35BrFN5O2/c1-6-11-28-25(33)30-22-12-18(7-10-23(22)32(14-16(2)3)15-17(4)5)24(31-34)29-19-8-9-21(27)20(26)13-19/h7-10,12-13,16-17,34H,6,11,14-15H2,1-5H3,(H,29,31)(H2,28,30,33)
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| InChIKey |
FDDICYZKIWIRAX-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