General Information of the Compound
| Compound ID |
CP0906184
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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 pivalate
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| Structure |
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4OC(=O)C(C)(C)C)no2)cc1C#N
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| InChI |
InChI=1S/C26H27N3O4/c1-15(2)31-21-11-9-16(13-17(21)14-27)24-28-23(29-33-24)20-8-6-7-19-18(20)10-12-22(19)32-25(30)26(3,4)5/h6-9,11,13,15,22H,10,12H2,1-5H3/t22-/m1/s1
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| InChIKey |
PAHRYAIYMWUUFV-JOCHJYFZSA-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