General Information of the Compound
| Compound ID |
CP0524260
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| Compound Name |
US8754233, N3-(2-Dimethylamino-ethyl)-4-(5-fluoro-6-methoxy-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C15H19FN6OS
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| Molecular Weight |
350.423
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1NCCN(C)C
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| InChI |
InChI=1S/C15H19FN6OS/c1-22(2)5-4-18-14-12(13(17)20-21-14)15-19-9-6-8(16)10(23-3)7-11(9)24-15/h6-7H,4-5H2,1-3H3,(H4,17,18,20,21)
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| InChIKey |
KIKWARFEWVGGRP-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