General Information of the Compound
| Compound ID |
CP0911399
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| Compound Name |
1-Methyl-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 |
C25H26N6OS
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| Molecular Weight |
458.591
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| Canonical SMILES |
Cc1nc(NC(=O)C2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C25H26N6OS/c1-16-23(33-25(27-16)28-24(32)17-10-13-31(2)14-11-17)18-6-8-20-21(29-30-22(20)15-18)9-7-19-5-3-4-12-26-19/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,29,30)(H,27,28,32)/b9-7+
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| InChIKey |
IAKVOBINHZPFJG-VQHVLOKHSA-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