General Information of the Compound
| Compound ID |
CP0558428
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| Compound Name |
4-[5-(2,4-difluorophenyl)-2H-triazol-4-yl]-9-oxa-3-thia-14-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-12-carboxamide
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| Structure |
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| Formula |
C20H13F2N5O2S
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| Molecular Weight |
425.42
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| Canonical SMILES |
NC(=O)c1cnc2-c3sc(cc3CCOc2c1)-c1[nH]nnc1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C20H13F2N5O2S/c21-11-1-2-12(13(22)7-11)16-18(26-27-25-16)15-6-9-3-4-29-14-5-10(20(23)28)8-24-17(14)19(9)30-15/h1-2,5-8H,3-4H2,(H2,23,28)(H,25,26,27)
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| InChIKey |
DCRLRAYKNYJGRE-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