General Information of the Compound
| Compound ID |
CP0474140
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| Compound Name |
(2S)-3-[4-[5-[2-(diethylaminomethyl)-6-methylpyridin-4-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
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| Structure |
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| Formula |
C25H34N4O4
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| Molecular Weight |
454.571
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| Canonical SMILES |
CCN(CC)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CO)c(CC)c1
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| InChI |
InChI=1S/C25H34N4O4/c1-6-18-11-19(9-16(4)23(18)32-15-22(31)14-30)24-27-25(33-28-24)20-10-17(5)26-21(12-20)13-29(7-2)8-3/h9-12,22,30-31H,6-8,13-15H2,1-5H3/t22-/m0/s1
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| InChIKey |
KXHDHHHGSGLWNT-QFIPXVFZSA-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