General Information of the Compound
| Compound ID |
CP0573547
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C29H32BrF4N5O2
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| Molecular Weight |
638.504
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(cc1)C(F)(F)F)C(\Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C29H32BrF4N5O2/c1-17(2)15-39(16-18(3)4)26-12-5-19(27(38-41)35-22-10-11-24(31)23(30)14-22)13-25(26)37-28(40)36-21-8-6-20(7-9-21)29(32,33)34/h5-14,17-18,41H,15-16H2,1-4H3,(H,35,38)(H2,36,37,40)
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| InChIKey |
HLQPXYOKESPQKO-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