General Information of the Compound
| Compound ID |
CP0551778
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| Compound Name |
[2-methyl-4-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
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| Formula |
C23H24N2O3S
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| Molecular Weight |
408.523
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(OC(C)=O)c(C)c2)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C23H24N2O3S/c1-5-12-24-23-25(19-9-7-6-8-15(19)2)22(27)21(29-23)14-18-10-11-20(16(3)13-18)28-17(4)26/h6-11,13-14H,5,12H2,1-4H3/b21-14-,24-23-
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| InChIKey |
KZNIDEPMBGHFQK-PZUCIDFCSA-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4