General Information of the Compound
| Compound ID |
CP0524261
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| Compound Name |
US8754233, N3-(3-Dimethylamino-propyl)-4-(5-fluoro-6-methoxy-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
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| Structure |
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| Formula |
C16H21FN6OS
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| Molecular Weight |
364.45
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1NCCCN(C)C
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| InChI |
InChI=1S/C16H21FN6OS/c1-23(2)6-4-5-19-15-13(14(18)21-22-15)16-20-10-7-9(17)11(24-3)8-12(10)25-16/h7-8H,4-6H2,1-3H3,(H4,18,19,21,22)
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| InChIKey |
YSHHIEMQIKWERK-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