General Information of the Compound
| Compound ID |
CP0372153
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| Compound Name |
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclopentylimino-3-phenyl-thiazolidin-4-one
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| Formula |
C21H19ClN2O2S
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| Molecular Weight |
398.915
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| Canonical SMILES |
Oc1ccc(\C=C2/S\C(=N/C3CCCC3)N(C2=O)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C21H19ClN2O2S/c22-17-12-14(10-11-18(17)25)13-19-20(26)24(16-8-2-1-3-9-16)21(27-19)23-15-6-4-5-7-15/h1-3,8-13,15,25H,4-7H2/b19-13-,23-21-
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| InChIKey |
DGEVWFHFQKJUAY-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