General Information of the Compound
| Compound ID |
CP0305513
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| Compound Name |
[4-[4-[(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methyl]phenoxy]piperidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
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| Structure |
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| Formula |
C28H34N4O5
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| Molecular Weight |
506.603
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CC(O)C(C)(C)C2)cc1
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| InChI |
InChI=1S/C28H34N4O5/c1-28(2)18-31(17-24(28)33)16-19-4-8-22(9-5-19)36-23-12-14-32(15-13-23)27(34)26-30-29-25(37-26)20-6-10-21(35-3)11-7-20/h4-11,23-24,33H,12-18H2,1-3H3
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| InChIKey |
DATKXEGBFDTYBY-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