General Information of the Compound
| Compound ID |
CP0946571
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| Compound Name |
N-{4-Methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-isobutyramide
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)C)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C22H21N5OS/c1-13(2)21(28)25-22-24-14(3)20(29-22)15-7-9-17-18(26-27-19(17)12-15)10-8-16-6-4-5-11-23-16/h4-13H,1-3H3,(H,26,27)(H,24,25,28)/b10-8+
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| InChIKey |
SZZZPQHADGNIBL-CSKARUKUSA-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