General Information of the Compound
| Compound ID |
CP0519357
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| Compound Name |
1-(4-chlorophenyl)-3-[4-[[[6-[2-(dimethylamino)ethoxy]-1,3-benzothiazol-2-yl]amino]methyl]phenyl]urea
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| Structure |
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| Formula |
C25H26ClN5O2S
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| Molecular Weight |
496.036
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| Canonical SMILES |
CN(C)CCOc1ccc2nc(NCc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)sc2c1
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| InChI |
InChI=1S/C25H26ClN5O2S/c1-31(2)13-14-33-21-11-12-22-23(15-21)34-25(30-22)27-16-17-3-7-19(8-4-17)28-24(32)29-20-9-5-18(26)6-10-20/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)(H2,28,29,32)
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| InChIKey |
FUGSZAXEFFNZCQ-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