General Information of the Compound
| Compound ID |
CP0414061
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| Compound Name |
US8754233, 4-(6-Methoxy-benzothiazol-2-yl)-5-piperazin-1-yl-2H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C15H18N6OS
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| Molecular Weight |
330.417
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| Canonical SMILES |
COc1ccc2nc(sc2c1)-c1c(N)n[nH]c1N1CCNCC1
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| InChI |
InChI=1S/C15H18N6OS/c1-22-9-2-3-10-11(8-9)23-15(18-10)12-13(16)19-20-14(12)21-6-4-17-5-7-21/h2-3,8,17H,4-7H2,1H3,(H3,16,19,20)
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| InChIKey |
AASMCUUUEHKZKE-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