General Information of the Compound
| Compound ID |
CP0514728
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| Compound Name |
CHEMBL2021500
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| Formula |
C26H26F4N2O2
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| Molecular Weight |
474.498
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| Canonical SMILES |
C[C@@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC1)(C#N)c1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H26F4N2O2/c1-24(34,26(28,29)30)18-4-2-17(3-5-18)23(33)32(21-10-11-21)22-12-14-25(16-31,15-13-22)19-6-8-20(27)9-7-19/h2-9,21-22,34H,10-15H2,1H3/t22-,24-,25+/m1/s1
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| InChIKey |
DDXYWMGFJXXYFK-GPXOXTDOSA-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