General Information of the Compound
| Compound ID |
CP0391641
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| Compound Name |
US8754233, 5-Methyl-4-[6-(4-methyl-piperazine-1-sulfonyl)-benzothiazol-2-yl]-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C16H20N6O2S2
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| Molecular Weight |
392.51
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccc2nc(sc2c1)-c1c(C)[nH]nc1N
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| InChI |
InChI=1S/C16H20N6O2S2/c1-10-14(15(17)20-19-10)16-18-12-4-3-11(9-13(12)25-16)26(23,24)22-7-5-21(2)6-8-22/h3-4,9H,5-8H2,1-2H3,(H3,17,19,20)
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| InChIKey |
RLIGFRYYZXNJGW-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