General Information of the Compound
| Compound ID |
CP0545552
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| Compound Name |
(2s,4S)-N-((1s,3S)-3-(3-(tert-Butyl)-4-fluorophenyl)cyclobutyl)-N-methyl-6-oxo-
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| Formula |
C22H29FN2O3
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| Molecular Weight |
388.483
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| Canonical SMILES |
CN([C@H]1C[C@H](C1)c1ccc(F)c(c1)C(C)(C)C)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2
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| InChI |
InChI=1S/C22H29FN2O3/c1-21(2,3)17-9-13(5-6-18(17)23)14-7-16(8-14)25(4)19(26)15-10-22(11-15)12-28-20(27)24-22/h5-6,9,14-16H,7-8,10-12H2,1-4H3,(H,24,27)/t14-,15-,16+,22+
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| InChIKey |
QFPZUCGUNXGFIO-MZWZYPHZSA-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