General Information of the Compound
| Compound ID |
CP0535572
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| Compound Name |
US10668051, Compound Example 82
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| Structure |
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| Formula |
C17H13F4N5OS
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| Molecular Weight |
411.384
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| Canonical SMILES |
Cc1nnsc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C17H13F4N5OS/c1-8-15(28-25-23-8)16(27)22-10-4-5-12(11(18)6-10)26-13(9-2-3-9)7-14(24-26)17(19,20)21/h4-7,9H,2-3H2,1H3,(H,22,27)
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| InChIKey |
GHVJBFUZYPACNM-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