General Information of the Compound
| Compound ID |
CP0580020
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[N'-(3-bromo-4-fluorophenyl)-N-hydroxycarbamimidoyl]phenyl]-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C29H35BrFN5O2
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| Molecular Weight |
584.534
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(\Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C29H35BrFN5O2/c1-18(2)16-36(17-19(3)4)27-13-8-21(28(35-38)32-23-11-12-25(31)24(30)15-23)14-26(27)34-29(37)33-22-9-6-20(5)7-10-22/h6-15,18-19,38H,16-17H2,1-5H3,(H,32,35)(H2,33,34,37)
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| InChIKey |
DDURYBICOVLLRL-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