General Information of the Compound
| Compound ID |
CP0946568
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| Compound Name |
2-(3,4-Dimethoxy-phenyl)-N-{4-methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-acetamide
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| Formula |
C28H25N5O3S
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| Molecular Weight |
511.607
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2nc(C)c(-c3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)s2)cc1OC
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| InChI |
InChI=1S/C28H25N5O3S/c1-17-27(37-28(30-17)31-26(34)15-18-7-12-24(35-2)25(14-18)36-3)19-8-10-21-22(32-33-23(21)16-19)11-9-20-6-4-5-13-29-20/h4-14,16H,15H2,1-3H3,(H,32,33)(H,30,31,34)/b11-9+
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| InChIKey |
LWMYEDRCYQRVNR-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