General Information of the Compound
| Compound ID |
CP0377197
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| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C16H17N5O3S
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| Molecular Weight |
359.411
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cn[nH]c3)sc12
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| InChI |
InChI=1S/C16H17N5O3S/c1-4-21(9(2)22)11-5-6-12(24-3)13-14(11)25-16(19-13)20-15(23)10-7-17-18-8-10/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20,23)
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| InChIKey |
BXSPHELRNIKWCY-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