General Information of the Compound
| Compound ID |
CP0567293
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| Compound Name |
US8802711, 131
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| Structure |
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| Formula |
C17H16F3N5OS
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| Molecular Weight |
395.41
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| Canonical SMILES |
FC(F)(F)c1csc(n1)C1CC[C@H](C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C17H16F3N5OS/c18-17(19,20)14-8-27-15(24-14)9-4-5-10(6-9)22-16(26)23-12-2-1-3-13-11(12)7-21-25-13/h1-3,7-10H,4-6H2,(H,21,25)(H2,22,23,26)/t9?,10-/m1/s1
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| InChIKey |
MZEPFERSLWBFLU-QVDQXJPCSA-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