General Information of the Compound
| Compound ID |
CP0197911
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| Compound Name |
[3-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
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| Structure |
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| Formula |
C25H28N4O5
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| Molecular Weight |
464.522
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCC(C)(O)C2)cc1
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| InChI |
InChI=1S/C25H28N4O5/c1-25(31)11-12-28(16-25)13-17-3-7-20(8-4-17)33-21-14-29(15-21)24(30)23-27-26-22(34-23)18-5-9-19(32-2)10-6-18/h3-10,21,31H,11-16H2,1-2H3
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| InChIKey |
BAKIYMNVCWZQIA-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