General Information of the Compound
| Compound ID |
CP0549390
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| Compound Name |
US9862730, Example 272
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| Structure |
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| Formula |
C15H10BrF2N3O2S
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| Molecular Weight |
414.231
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| Canonical SMILES |
COc1cc2oc(cc2cc1Br)-c1cn2nc(sc2n1)C(C)(F)F
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| InChI |
InChI=1S/C15H10BrF2N3O2S/c1-15(17,18)13-20-21-6-9(19-14(21)24-13)12-4-7-3-8(16)11(22-2)5-10(7)23-12/h3-6H,1-2H3
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| InChIKey |
MIUYTIIUOMLBGC-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