General Information of the Compound
| Compound ID |
CP0407970
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| Compound Name |
5-[3-[4-[(2R)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
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| Structure |
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| Formula |
C21H20ClFN4O4
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| Molecular Weight |
446.866
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1cc(F)c(OC[C@H](N)CO)cc1Cl
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| InChI |
InChI=1S/C21H20ClFN4O4/c1-11(2)30-18-4-3-12(5-13(18)8-24)21-26-20(27-31-21)15-6-17(23)19(7-16(15)22)29-10-14(25)9-28/h3-7,11,14,28H,9-10,25H2,1-2H3/t14-/m1/s1
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| InChIKey |
GMVWSYAXUAALED-CQSZACIVSA-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