General Information of the Compound
| Compound ID |
CP0546570
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| Compound Name |
US8754233, N-{2-[5-Amino-4-(5-fluoro-6-methoxy-benzothiazol-2-yl)-1H-pyrazol-3-ylamino]-ethyl}-acetamide
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| Structure |
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| Formula |
C15H17FN6O2S
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| Molecular Weight |
364.406
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| Canonical SMILES |
COc1cc2sc(nc2cc1F)-c1c(N)n[nH]c1NCCNC(C)=O
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| InChI |
InChI=1S/C15H17FN6O2S/c1-7(23)18-3-4-19-14-12(13(17)21-22-14)15-20-9-5-8(16)10(24-2)6-11(9)25-15/h5-6H,3-4H2,1-2H3,(H,18,23)(H4,17,19,21,22)
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| InChIKey |
PEVDEKXZIJJYHI-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