General Information of the Compound
| Compound ID |
CP0867031
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| Compound Name |
Trans-4,4-dimethyl-2-(4-(3-(piperidin-1-yl)cyclobutoxy)phenyl)-4,5-dihydrooxazole
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| Formula |
C20H28N2O2
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| Molecular Weight |
328.456
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| Canonical SMILES |
CC1(C)COC(c2ccc(O[C@H]3C[C@H](N4CCCCC4)C3)cc2)=N1
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| InChI |
InChI=1S/C20H28N2O2/c1-20(2)14-23-19(21-20)15-6-8-17(9-7-15)24-18-12-16(13-18)22-10-4-3-5-11-22/h6-9,16,18H,3-5,10-14H2,1-2H3/t16-,18-
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| InChIKey |
LFMUZUGUELETHC-SAABIXHNSA-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