General Information of the Compound
| Compound ID |
CP0372314
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| Compound Name |
(Z,Z)-5-(4-Hydroxy-3-methyl-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
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| Formula |
C20H20N2O2S
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| Molecular Weight |
352.459
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(O)c(C)c2)C(=O)N1c1ccccc1
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| InChI |
InChI=1S/C20H20N2O2S/c1-13(2)21-20-22(16-7-5-4-6-8-16)19(24)18(25-20)12-15-9-10-17(23)14(3)11-15/h4-13,23H,1-3H3/b18-12-,21-20-
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| InChIKey |
ROJMABDYGVEYPL-RTPYTOBHSA-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