General Information of the Compound
| Compound ID |
CP0066589
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| Compound Name |
[4-[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenoxy]piperidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
OC1CCN(Cc2ccc(OC3CCN(CC3)C(=O)c3nnc(o3)-c3ccccc3)cc2)C1
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| InChI |
InChI=1S/C25H28N4O4/c30-20-10-13-28(17-20)16-18-6-8-21(9-7-18)32-22-11-14-29(15-12-22)25(31)24-27-26-23(33-24)19-4-2-1-3-5-19/h1-9,20,22,30H,10-17H2
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| InChIKey |
KFBDHRIXCHPWDX-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