General Information of the Compound
| Compound ID |
CP0540867
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| Compound Name |
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-methyl-5-phenylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H28N6OS
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| Molecular Weight |
436.585
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| Canonical SMILES |
CN1CCN(CC1)c1sc(NC(=O)c2cc(-c3ccccc3)n(C)n2)nc1C1CCC1
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| InChI |
InChI=1S/C23H28N6OS/c1-27-11-13-29(14-12-27)22-20(17-9-6-10-17)24-23(31-22)25-21(30)18-15-19(28(2)26-18)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,24,25,30)
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| InChIKey |
YXVRZDDMFNWIRB-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