General Information of the Compound
| Compound ID |
CP0523312
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| Compound Name |
CHEMBL2204064
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| Formula |
C26H27F3N2O3
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| Molecular Weight |
472.507
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| Canonical SMILES |
OCCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C26H27F3N2O3/c27-26(28,29)21-8-4-5-17(15-21)16-22-23(30-25(34)31(13-14-32)24(22)33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-8,15,19-20,32H,9-14,16H2,(H,30,34)/t19-,20+
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| InChIKey |
UPMSVRVKFZUGNY-BGYRXZFFSA-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