General Information of the Compound
| Compound ID |
CP0056489
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| Compound Name |
CHEMBL2316211
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| Formula |
C23H25F3N6O2S
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| Molecular Weight |
506.554
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ncc(cc12)C(F)(F)F)c1cncs1
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| InChI |
InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-7-17-18(29-8-14)3-6-28-21(17)30-10-20(33)31-15-11-32(12-15)16-1-4-22(34,5-2-16)19-9-27-13-35-19/h3,6-9,13,15-16,34H,1-2,4-5,10-12H2,(H,28,30)(H,31,33)/t16-,22-
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| InChIKey |
SMYCACLLALUJTH-CIEDQVTBSA-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