General Information of the Compound
| Compound ID |
CP0480737
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| Compound Name |
US8916594, I-018
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| Formula |
C18H25FN4O3S
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| Molecular Weight |
396.488
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(no1)-c1cccc(F)c1
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| InChI |
InChI=1S/C18H25FN4O3S/c1-12(2)27(24,25)20-11-13-6-8-16(9-7-13)21-18-22-17(23-26-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,20H,6-9,11H2,1-2H3,(H,21,22,23)/t13-,16-
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| InChIKey |
TWEJXTRQRWGQRM-SAZUREKKSA-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