General Information of the Compound
| Compound ID |
CP0898528
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| Compound Name |
Piperidine-4-carboxylic acid {4-methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-amide
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| Formula |
C24H24N6OS
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| Molecular Weight |
444.564
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| Canonical SMILES |
Cc1nc(NC(=O)C2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C24H24N6OS/c1-15-22(32-24(27-15)28-23(31)16-9-12-25-13-10-16)17-5-7-19-20(29-30-21(19)14-17)8-6-18-4-2-3-11-26-18/h2-8,11,14,16,25H,9-10,12-13H2,1H3,(H,29,30)(H,27,28,31)/b8-6+
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| InChIKey |
GAGOETVYESXLFK-SOFGYWHQSA-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
Protein ID: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2