General Information of the Compound
| Compound ID |
CP0505867
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| Compound Name |
CHEMBL1829639
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| Formula |
C26H28F3N3O4
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| Molecular Weight |
503.521
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| Canonical SMILES |
OC(=O)[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C26H28F3N3O4/c27-26(28,29)19-8-4-5-17(13-19)23(34)30-14-22(33)31-20-15-32(16-20)21-9-11-25(12-10-21,24(35)36)18-6-2-1-3-7-18/h1-8,13,20-21H,9-12,14-16H2,(H,30,34)(H,31,33)(H,35,36)/t21-,25+
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| InChIKey |
TWXZQXCPTUKUNZ-IVHGUIJPSA-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