General Information of the Compound
| Compound ID |
CP0514580
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| Compound Name |
(Z,Z)-5-(4-Bromo-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
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| Formula |
C19H17BrN2OS
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| Molecular Weight |
401.329
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1
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| InChI |
InChI=1S/C19H17BrN2OS/c1-13(2)21-19-22(16-6-4-3-5-7-16)18(23)17(24-19)12-14-8-10-15(20)11-9-14/h3-13H,1-2H3/b17-12-,21-19-
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| InChIKey |
VDIGIRMUWSICSH-WJCPARMISA-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
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3