General Information of the Compound
| Compound ID |
CP0495819
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| Compound Name |
(Z,Z)-5-(3,4-Dimethoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
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| Formula |
C21H22N2O3S
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| Molecular Weight |
382.485
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| Canonical SMILES |
COc1ccc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C21H22N2O3S/c1-14(2)22-21-23(16-8-6-5-7-9-16)20(24)19(27-21)13-15-10-11-17(25-3)18(12-15)26-4/h5-14H,1-4H3/b19-13-,22-21-
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| InChIKey |
UFVMCGRIQIZFIV-DPBNUBQISA-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