General Information of the Compound
| Compound ID |
CP0578052
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| Compound Name |
[6-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C31H32F3N5O3
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| Molecular Weight |
579.623
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(cn1)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C31H32F3N5O3/c1-30(2,3)24-9-6-22(7-10-24)27-36-28(42-37-27)26-13-8-23(18-35-26)29(40)39-16-14-38(15-17-39)19-21-4-11-25(12-5-21)41-20-31(32,33)34/h4-13,18H,14-17,19-20H2,1-3H3
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| InChIKey |
PUGHTYOWECMIQH-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