General Information of the Compound
| Compound ID |
CP0160245
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| Compound Name |
5-[3-[7-(1,3-dihydroxypropan-2-yl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
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| Structure |
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| Formula |
C24H27N5O4
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| Molecular Weight |
449.511
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cnc2CN(CCc2c1C)C(CO)CO
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| InChI |
InChI=1S/C24H27N5O4/c1-14(2)32-22-5-4-16(8-17(22)9-25)24-27-23(28-33-24)20-10-26-21-11-29(18(12-30)13-31)7-6-19(21)15(20)3/h4-5,8,10,14,18,30-31H,6-7,11-13H2,1-3H3
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| InChIKey |
MVGFNFSGZKTVHD-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