General Information of the Compound
| Compound ID |
CP0549969
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| Compound Name |
US8916594, I-161
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| Formula |
C17H27F3N4O3S
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| Molecular Weight |
424.489
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| Canonical SMILES |
CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)C1(F)CC(F)(F)C1
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| InChI |
InChI=1S/C17H27F3N4O3S/c1-15(2,3)28(25,26)21-8-11-4-6-12(7-5-11)22-14-23-13(24-27-14)16(18)9-17(19,20)10-16/h11-12,21H,4-10H2,1-3H3,(H,22,23,24)/t11-,12-
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| InChIKey |
NFZZEMTWKRNDIU-HAQNSBGRSA-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