General Information of the Compound
| Compound ID |
CP0568868
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| Compound Name |
N-[[4-[5-(difluoromethyl)-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 |
C30H32F3N5O3
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| Molecular Weight |
567.612
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| Canonical SMILES |
CCOc1ncc(cn1)-c1cccc(c1)N(CC12CCC(CC1)(CC2)c1noc(n1)C(F)F)C(=O)C12CC(F)(C1)C2
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| InChI |
InChI=1S/C30H32F3N5O3/c1-2-40-26-34-13-20(14-35-26)19-4-3-5-21(12-19)38(25(39)29-15-30(33,16-29)17-29)18-27-6-9-28(10-7-27,11-8-27)24-36-23(22(31)32)41-37-24/h3-5,12-14,22H,2,6-11,15-18H2,1H3
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| InChIKey |
PYINNISTIKTCGH-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