General Information of the Compound
| Compound ID |
CP0422225
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| Compound Name |
CHEMBL4760451
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| Formula |
C24H32INO3
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| Molecular Weight |
509.428
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)Oc1cc(I)c2ccccc2c1CNCCC(O)=O
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| InChI |
InChI=1S/C24H32INO3/c1-24(2,3)16-8-10-17(11-9-16)29-22-14-21(25)19-7-5-4-6-18(19)20(22)15-26-13-12-23(27)28/h4-7,14,16-17,26H,8-13,15H2,1-3H3,(H,27,28)/t16-,17-
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| InChIKey |
ALKHPEATMLIGGZ-QAQDUYKDSA-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5