General Information of the Compound
| Compound ID |
CP0490773
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| Compound Name |
(Z,Z)-5-[3-Chloro-4-(2-hydroxy-ethoxy)-benzylidene]-2-propylimino-3-o-tolylthiazolidin-4-one
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| Formula |
C22H23ClN2O3S
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| Molecular Weight |
430.957
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C22H23ClN2O3S/c1-3-10-24-22-25(18-7-5-4-6-15(18)2)21(27)20(29-22)14-16-8-9-19(17(23)13-16)28-12-11-26/h4-9,13-14,26H,3,10-12H2,1-2H3/b20-14-,24-22-
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| InChIKey |
QZQZOYVBZLMRCH-NJMAKWBESA-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