General Information of the Compound
| Compound ID |
CP0551739
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| Compound Name |
[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C26H28F2N4O4
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| Molecular Weight |
498.53
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| Canonical SMILES |
FC(F)Oc1ccc(cc1)-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
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| InChI |
InChI=1S/C26H28F2N4O4/c27-26(28)35-21-9-5-19(6-10-21)23-29-30-24(36-23)25(33)32-15-11-22(12-16-32)34-20-7-3-18(4-8-20)17-31-13-1-2-14-31/h3-10,22,26H,1-2,11-17H2
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| InChIKey |
DOYJRSIFDNNMJC-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