General Information of the Compound
| Compound ID |
CP0540606
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| Compound Name |
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-piperazin-1-yl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C15H17FN6OS
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| Molecular Weight |
348.407
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1N1CCNCC1
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| InChI |
InChI=1S/C15H17FN6OS/c1-23-10-7-11-9(6-8(10)16)19-15(24-11)12-13(17)20-21-14(12)22-4-2-18-3-5-22/h6-7,18H,2-5H2,1H3,(H3,17,20,21)
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| InChIKey |
DZSCNAWRDWGVKH-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