General Information of the Compound
| Compound ID |
CP0556884
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| Compound Name |
US9181219, 6
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| Structure |
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| Formula |
C18H17F3N2OS
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| Molecular Weight |
366.408
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| Canonical SMILES |
Cc1cccc2CCCN(C(=O)CSc3ccc(cn3)C(F)(F)F)c12
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| InChI |
InChI=1S/C18H17F3N2OS/c1-12-4-2-5-13-6-3-9-23(17(12)13)16(24)11-25-15-8-7-14(10-22-15)18(19,20)21/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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| InChIKey |
WNBQQNXMFAQPPC-UHFFFAOYSA-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