General Information of the Compound
| Compound ID |
CP0372145
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| Compound Name |
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-2-cyclohexylimino-3-phenyl-thiazolidin-4-one
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| Formula |
C22H21ClN2O2S
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| Molecular Weight |
412.942
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| Canonical SMILES |
Oc1ccc(\C=C2/S\C(=N/C3CCCCC3)N(C2=O)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C22H21ClN2O2S/c23-18-13-15(11-12-19(18)26)14-20-21(27)25(17-9-5-2-6-10-17)22(28-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16,26H,1,3-4,7-8H2/b20-14-,24-22-
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| InChIKey |
IRTZZRFAZYXNLS-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