General Information of the Compound
| Compound ID |
CP0527793
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| Compound Name |
1-[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H19F3N4O5
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| Molecular Weight |
500.433
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| Canonical SMILES |
OC(CN1CC(C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C24H19F3N4O5/c25-24(26,27)18-19(14-4-2-1-3-5-14)29-35-20(18)22-28-21(30-36-22)15-8-6-13(7-9-15)17(32)12-31-10-16(11-31)23(33)34/h1-9,16-17,32H,10-12H2,(H,33,34)
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| InChIKey |
HRMZOHUUKHMBOJ-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