General Information of the Compound
| Compound ID |
CP0519358
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| Compound Name |
1-(4-bromophenyl)-3-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]urea
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| Structure |
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| Formula |
C27H28BrN5O3S
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| Molecular Weight |
582.524
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| Canonical SMILES |
Brc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4s3)cc2)cc1
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| InChI |
InChI=1S/C27H28BrN5O3S/c28-20-3-7-22(8-4-20)31-26(34)30-21-5-1-19(2-6-21)18-29-27-32-24-10-9-23(17-25(24)37-27)36-16-13-33-11-14-35-15-12-33/h1-10,17H,11-16,18H2,(H,29,32)(H2,30,31,34)
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| InChIKey |
HMUHOLRNDPUUGF-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