General Information of the Compound
Compound ID |
CP0374264
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Compound Name |
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-methylimino-3-phenyl-thiazolidin-4-one
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Formula |
C17H13ClN2O2S
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Molecular Weight |
344.823
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Canonical SMILES |
C\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1
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InChI |
InChI=1S/C17H13ClN2O2S/c1-19-17-20(12-5-3-2-4-6-12)16(22)15(23-17)10-11-7-8-14(21)13(18)9-11/h2-10,21H,1H3/b15-10-,19-17-
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InChIKey |
XHXNBCDPRREGSH-VUDPKCRPSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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