General Information of the Compound
| Compound ID |
CP0519354
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| Compound Name |
1-(3,4-dichlorophenyl)-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 |
C27H27Cl2N5O3S
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| Molecular Weight |
572.518
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4s3)cc2)cc1Cl
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| InChI |
InChI=1S/C27H27Cl2N5O3S/c28-22-7-5-20(15-23(22)29)32-26(35)31-19-3-1-18(2-4-19)17-30-27-33-24-8-6-21(16-25(24)38-27)37-14-11-34-9-12-36-13-10-34/h1-8,15-16H,9-14,17H2,(H,30,33)(H2,31,32,35)
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| InChIKey |
SZFSSULCXKPITO-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