General Information of the Compound
| Compound ID |
CP0491425
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| Compound Name |
US9181182, 47
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| Synonyms |
2-Amino-2-((4-(5-(3,4-dipropylphenyl)-1,2,4-oxadiazol-3-yl)indolin-1-yl)methyl)propane-1,3-diol
BDBM190520
CHEMBL3944892
KVXIWHRSUIQTTC-UHFFFAOYSA-N
SCHEMBL566158
US9181182, 47
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
CCCc1ccc(cc1CCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12
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| InChI |
InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3
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| InChIKey |
KVXIWHRSUIQTTC-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