General Information of the Compound
| Compound ID |
CP0574897
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| Compound Name |
1-[[5-[N'-(3-bromophenyl)-N-hydroxycarbamimidoyl]thiophen-2-yl]methyl]-3-(3-chlorophenyl)urea
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| Structure |
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| Formula |
C19H16BrClN4O2S
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| Molecular Weight |
479.787
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| Canonical SMILES |
O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(Cl)c2)s1
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| InChI |
InChI=1S/C19H16BrClN4O2S/c20-12-3-1-5-14(9-12)23-18(25-27)17-8-7-16(28-17)11-22-19(26)24-15-6-2-4-13(21)10-15/h1-10,27H,11H2,(H,23,25)(H2,22,24,26)
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| InChIKey |
DDMLICWPKOIDEC-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