General Information of the Compound
| Compound ID |
CP0372307
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| Compound Name |
(Z,Z)-5-[4-(3-Dimethylamino-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
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| Formula |
C24H29N3O2S
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| Molecular Weight |
423.582
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| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1
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| InChI |
InChI=1S/C24H29N3O2S/c1-18(2)25-24-27(20-9-6-5-7-10-20)23(28)22(30-24)17-19-11-13-21(14-12-19)29-16-8-15-26(3)4/h5-7,9-14,17-18H,8,15-16H2,1-4H3/b22-17-,25-24-
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| InChIKey |
ROQYPWMGRCGEPF-ISSOZRQYSA-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