General Information of the Compound
| Compound ID |
CP0546568
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| Compound Name |
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-N3-[2-(3H-imidazol-4-yl)-ethyl]-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C16H16FN7OS
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| Molecular Weight |
373.417
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1NCCc1cnc[nH]1
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| InChI |
InChI=1S/C16H16FN7OS/c1-25-11-5-12-10(4-9(11)17)22-16(26-12)13-14(18)23-24-15(13)20-3-2-8-6-19-7-21-8/h4-7H,2-3H2,1H3,(H,19,21)(H4,18,20,23,24)
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| InChIKey |
RAYNDGCIBNIDFC-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