General Information of the Compound
| Compound ID |
CP0464108
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| Compound Name |
3-[1-[2,2-dimethyl-1-(4-methylphenyl)cyclopropanecarbonyl]piperidin-4-yl]-5-phenyl-1,3,4-oxadiazol-2-one
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
Cc1ccc(cc1)C1(CC1(C)C)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
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| InChI |
InChI=1S/C26H29N3O3/c1-18-9-11-20(12-10-18)26(17-25(26,2)3)23(30)28-15-13-21(14-16-28)29-24(31)32-22(27-29)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3
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| InChIKey |
OLSHEFPDAKZCED-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