General Information of the Compound
| Compound ID |
CP0557587
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| Compound Name |
US8940771, 66
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| Structure |
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| Formula |
C18H23FN6O2S
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| Molecular Weight |
406.487
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| Canonical SMILES |
Cc1nc(NC(=O)N2C[C@@H](F)C[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C
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| InChI |
InChI=1S/C18H23FN6O2S/c1-9-13(11-5-6-21-15(23-11)18(2,3)4)28-16(22-9)24-17(27)25-8-10(19)7-12(25)14(20)26/h5-6,10,12H,7-8H2,1-4H3,(H2,20,26)(H,22,24,27)/t10-,12-/m0/s1
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| InChIKey |
FEEWUGGEKUTKIB-JQWIXIFHSA-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