General Information of the Compound
| Compound ID |
CP0946718
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| Compound Name |
(R)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl acetate
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| Structure |
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| Formula |
C23H21N3O4
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| Molecular Weight |
403.438
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| Canonical SMILES |
CC(=O)O[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C23H21N3O4/c1-13(2)28-20-9-7-15(11-16(20)12-24)23-25-22(26-30-23)19-6-4-5-18-17(19)8-10-21(18)29-14(3)27/h4-7,9,11,13,21H,8,10H2,1-3H3/t21-/m1/s1
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| InChIKey |
AWLCYEPZJUNGKS-OAQYLSRUSA-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