General Information of the Compound
| Compound ID |
CP0372150
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| Compound Name |
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-isopropylimino-3-phenethylthiazolidin-4-one
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| Formula |
C21H21ClN2O2S
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| Molecular Weight |
400.931
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1
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| InChI |
InChI=1S/C21H21ClN2O2S/c1-14(2)23-21-24(11-10-15-6-4-3-5-7-15)20(26)19(27-21)13-16-8-9-18(25)17(22)12-16/h3-9,12-14,25H,10-11H2,1-2H3/b19-13-,23-21-
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| InChIKey |
LDLYGBKXDBHYPH-QFGKFHJGSA-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