General Information of the Compound
| Compound ID |
CP0444011
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| Compound Name |
2-amino-2-[2-[4-[4-[2-(2-hydroxypropyl)-1,3-oxazol-4-yl]phenyl]phenyl]ethyl]propane-1,3-diol;hydrochloride
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| Structure |
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| Formula |
C23H29ClN2O4
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| Molecular Weight |
432.948
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| Canonical SMILES |
Cl.CC(O)Cc1nc(co1)-c1ccc(cc1)-c1ccc(CCC(N)(CO)CO)cc1
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| InChI |
InChI=1S/C23H28N2O4.ClH/c1-16(28)12-22-25-21(13-29-22)20-8-6-19(7-9-20)18-4-2-17(3-5-18)10-11-23(24,14-26)15-27;/h2-9,13,16,26-28H,10-12,14-15,24H2,1H3;1H
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| InChIKey |
VLWGMOFMMFNIPC-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