General Information of the Compound
| Compound ID |
CP0911398
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| Compound Name |
2-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-N-{4-methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-acetamide
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| Formula |
C26H29N7O2S
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| Molecular Weight |
503.632
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| Canonical SMILES |
Cc1nc(NC(=O)CN2CCN(CCO)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C26H29N7O2S/c1-18-25(36-26(28-18)29-24(35)17-33-12-10-32(11-13-33)14-15-34)19-5-7-21-22(30-31-23(21)16-19)8-6-20-4-2-3-9-27-20/h2-9,16,34H,10-15,17H2,1H3,(H,30,31)(H,28,29,35)/b8-6+
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| InChIKey |
GZRIFGXQGZIBPO-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