General Information of the Compound
| Compound ID |
CP0573001
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| Compound Name |
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxypyrimidin-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
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| Structure |
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| Formula |
C33H40FN5O3
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| Molecular Weight |
573.713
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| Canonical SMILES |
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(C)(C)C)C(=O)C12CC(F)(C1)C2
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| InChI |
InChI=1S/C33H40FN5O3/c1-5-41-28-35-16-23(17-36-28)22-7-6-8-24(15-22)39(27(40)32-18-33(34,19-32)20-32)21-30-9-12-31(13-10-30,14-11-30)25-37-26(42-38-25)29(2,3)4/h6-8,15-17H,5,9-14,18-21H2,1-4H3
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| InChIKey |
JAZJGEUAGPSTRV-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