General Information of the Compound
| Compound ID |
CP0313557
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| Compound Name |
CHEMBL1760884
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| Formula |
C26H29F3N4O5S2
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| Molecular Weight |
598.669
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@@H](CC3)NS(=O)(=O)c3cccc(c3)C(F)(F)F)sc12
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| InChI |
InChI=1S/C26H29F3N4O5S2/c1-4-33(15(2)34)20-12-13-21(38-3)22-23(20)39-25(30-22)31-24(35)16-8-10-18(11-9-16)32-40(36,37)19-7-5-6-17(14-19)26(27,28)29/h5-7,12-14,16,18,32H,4,8-11H2,1-3H3,(H,30,31,35)/t16-,18+
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| InChIKey |
AEALLVSFYNMBHG-MAEOIBBWSA-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