General Information of the Compound
| Compound ID |
CP0848222
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| Compound Name |
methyl 1-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylate
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| Structure |
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| Formula |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
COC(=O)C1CN(C2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)C1
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| InChI |
InChI=1S/C26H26N4O4/c1-15(2)33-23-10-7-16(11-17(23)12-27)25-28-24(29-34-25)21-6-4-5-20-19(21)8-9-22(20)30-13-18(14-30)26(31)32-3/h4-7,10-11,15,18,22H,8-9,13-14H2,1-3H3
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| InChIKey |
CDXRMJFLQXBVBQ-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