General Information of the Compound
| Compound ID |
CP0870202
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| Compound Name |
N-{4-Methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-2-(3-trifluoromethyl-phenyl)-acetamide
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| Formula |
C27H20F3N5OS
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| Molecular Weight |
519.552
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| Canonical SMILES |
Cc1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
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| InChI |
InChI=1S/C27H20F3N5OS/c1-16-25(37-26(32-16)33-24(36)14-17-5-4-6-19(13-17)27(28,29)30)18-8-10-21-22(34-35-23(21)15-18)11-9-20-7-2-3-12-31-20/h2-13,15H,14H2,1H3,(H,34,35)(H,32,33,36)/b11-9+
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| InChIKey |
INFCVFRYKQPUDG-PKNBQFBNSA-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