General Information of the Compound
| Compound ID |
CP0449970
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| Compound Name |
US9181182, 40
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| Synonyms |
2-Amino-2-((5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)indolin-1-yl)methyl)propane-1,3-diol
ARJYSAJMGKMECN-UHFFFAOYSA-N
BDBM190507
CHEMBL3896342
SCHEMBL566013
US9181182, 40
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| Structure |
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| Formula |
C24H30N4O5
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| Molecular Weight |
454.527
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| Canonical SMILES |
CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
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| InChI |
InChI=1S/C24H30N4O5/c1-3-31-20-8-6-18(12-21(20)32-4-2)23-26-22(27-33-23)17-5-7-19-16(11-17)9-10-28(19)13-24(25,14-29)15-30/h5-8,11-12,29-30H,3-4,9-10,13-15,25H2,1-2H3
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| InChIKey |
ARJYSAJMGKMECN-UHFFFAOYSA-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
Clinical Information about the Compound